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Piperazines

Organic heterocyclic compounds that consist of a six-membered ring with four carbon atoms and two nitrogen atoms at opposite positions in the ring.

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1

(S)-1-Boc-2-isopropylpiperazine, 97%

CAS: 674792-05-3 Molecular Formula: C12H24N2O2 Molecular Weight (g/mol): 228.34 MDL Number: MFCD03787918 InChI Key: NZTWGWFHWJARJX-SNVBAGLBSA-N Synonym: s-1-boc-2-isopropylpiperazine,s-1-boc-2-isopropyl-piperazine,s-tert-butyl 2-isopropylpiperazine-1-carboxylate,tert-butyl 2s-2-propan-2-yl piperazine-1-carboxylate,1-n-boc-2s-isopropyl-piperazine,tert-butyl 2s-2-isopropylpiperazine-1-carboxylate,s-n-1-boc-2-isopropylpiperazine,2s-1-n-boc-2-isopropylpiperazine,s-1-n-boc-2-isopropyl piperazine PubChem CID: 17750439 IUPAC Name: tert-butyl (2S)-2-propan-2-ylpiperazine-1-carboxylate SMILES: CC(C)[C@H]1CNCCN1C(=O)OC(C)(C)C

PubChem CID 17750439
CAS 674792-05-3
Molecular Weight (g/mol) 228.34
MDL Number MFCD03787918
SMILES CC(C)[C@H]1CNCCN1C(=O)OC(C)(C)C
Synonym s-1-boc-2-isopropylpiperazine,s-1-boc-2-isopropyl-piperazine,s-tert-butyl 2-isopropylpiperazine-1-carboxylate,tert-butyl 2s-2-propan-2-yl piperazine-1-carboxylate,1-n-boc-2s-isopropyl-piperazine,tert-butyl 2s-2-isopropylpiperazine-1-carboxylate,s-n-1-boc-2-isopropylpiperazine,2s-1-n-boc-2-isopropylpiperazine,s-1-n-boc-2-isopropyl piperazine
IUPAC Name tert-butyl (2S)-2-propan-2-ylpiperazine-1-carboxylate
InChI Key NZTWGWFHWJARJX-SNVBAGLBSA-N
Molecular Formula C12H24N2O2
2

(S)-(-)-1-Boc-3-methylpiperazine, 98%

CAS: 147081-29-6 Molecular Formula: C10H20N2O2 Molecular Weight (g/mol): 200.282 MDL Number: MFCD02683204 InChI Key: FMLPQHJYUZTHQS-QMMMGPOBSA-N Synonym: s-4-n-boc-2-methylpiperazine,s-4-n-boc-2-methyl piperazine,s-tert-butyl 3-methylpiperazine-1-carboxylate,s-4-boc-2-methylpiperazine,s-1-boc-3-methyl-piperazine,tert-butyl 3s-3-methylpiperazine-1-carboxylate,s-1-boc-3-methylpiperazine,s-4bocmp,4-boc-2-s-methyl-piperazine,s-1-n-boc-3-methylpiperazine PubChem CID: 7023035 IUPAC Name: tert-butyl (3S)-3-methylpiperazine-1-carboxylate SMILES: CC1CN(CCN1)C(=O)OC(C)(C)C

PubChem CID 7023035
CAS 147081-29-6
Molecular Weight (g/mol) 200.282
MDL Number MFCD02683204
SMILES CC1CN(CCN1)C(=O)OC(C)(C)C
Synonym s-4-n-boc-2-methylpiperazine,s-4-n-boc-2-methyl piperazine,s-tert-butyl 3-methylpiperazine-1-carboxylate,s-4-boc-2-methylpiperazine,s-1-boc-3-methyl-piperazine,tert-butyl 3s-3-methylpiperazine-1-carboxylate,s-1-boc-3-methylpiperazine,s-4bocmp,4-boc-2-s-methyl-piperazine,s-1-n-boc-3-methylpiperazine
IUPAC Name tert-butyl (3S)-3-methylpiperazine-1-carboxylate
InChI Key FMLPQHJYUZTHQS-QMMMGPOBSA-N
Molecular Formula C10H20N2O2
3

(S)-1-Boc-2-isobutylpiperazine, 97%

CAS: 674792-06-4 Molecular Formula: C13H26N2O2 Molecular Weight (g/mol): 242.363 MDL Number: MFCD03787916 InChI Key: WXGGVOBNOVOVAM-NSHDSACASA-N Synonym: s-1-boc-2-isobutyl-piperazine,s-tert-butyl 2-isobutylpiperazine-1-carboxylate,s-1-boc-2-isobutylpiperazine,tert-butyl 2s-2-2-methylpropyl piperazine-1-carboxylate,s-1-n-boc-isobutylpiperazine,s-n-boc-2-isobutylpiperazine,tert-butyl 2s-2-isobutylpiperazine-1-carboxylate,s-1-n-boc-2-isobutylpiperazine,2s-1-n-boc-2-isobutylpiperazine,2s-1-tert-butoxycarbonyl-2-isobutylpiperazine PubChem CID: 17750437 IUPAC Name: tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate SMILES: CC(C)CC1CNCCN1C(=O)OC(C)(C)C

PubChem CID 17750437
CAS 674792-06-4
Molecular Weight (g/mol) 242.363
MDL Number MFCD03787916
SMILES CC(C)CC1CNCCN1C(=O)OC(C)(C)C
Synonym s-1-boc-2-isobutyl-piperazine,s-tert-butyl 2-isobutylpiperazine-1-carboxylate,s-1-boc-2-isobutylpiperazine,tert-butyl 2s-2-2-methylpropyl piperazine-1-carboxylate,s-1-n-boc-isobutylpiperazine,s-n-boc-2-isobutylpiperazine,tert-butyl 2s-2-isobutylpiperazine-1-carboxylate,s-1-n-boc-2-isobutylpiperazine,2s-1-n-boc-2-isobutylpiperazine,2s-1-tert-butoxycarbonyl-2-isobutylpiperazine
IUPAC Name tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate
InChI Key WXGGVOBNOVOVAM-NSHDSACASA-N
Molecular Formula C13H26N2O2
4

(S)-2-Benzyl-1-Boc-piperazine, 97%, Thermo Scientific Chemicals

CAS: 169447-86-3 Molecular Formula: C16H24N2O2 Molecular Weight (g/mol): 276.38 MDL Number: MFCD03787923 InChI Key: QKUHUJCLUFLGCI-AWEZNQCLSA-N Synonym: s-1-boc-2-benzylpiperazine,s-1-boc-2-benzyl-piperazine,s-tert-butyl 2-benzylpiperazine-1-carboxylate,tert-butyl 2s-2-benzylpiperazine-1-carboxylate,s-n1-boc-2-benzylpiperazine,2 s-benzyl-piperazine-1-carboxylic acid tert-butyl ester,s-2-benzyl-piperazine-1-carboxylic acid tert-butyl ester,n1-boc-2-benzylpiperazine,s-1-n-boc-2-benzylpiperazine,s-2-benzyl-1-boc-piperazine PubChem CID: 17750441 IUPAC Name: tert-butyl (2S)-2-benzylpiperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCNC[C@@H]1CC1=CC=CC=C1

PubChem CID 17750441
CAS 169447-86-3
Molecular Weight (g/mol) 276.38
MDL Number MFCD03787923
SMILES CC(C)(C)OC(=O)N1CCNC[C@@H]1CC1=CC=CC=C1
Synonym s-1-boc-2-benzylpiperazine,s-1-boc-2-benzyl-piperazine,s-tert-butyl 2-benzylpiperazine-1-carboxylate,tert-butyl 2s-2-benzylpiperazine-1-carboxylate,s-n1-boc-2-benzylpiperazine,2 s-benzyl-piperazine-1-carboxylic acid tert-butyl ester,s-2-benzyl-piperazine-1-carboxylic acid tert-butyl ester,n1-boc-2-benzylpiperazine,s-1-n-boc-2-benzylpiperazine,s-2-benzyl-1-boc-piperazine
IUPAC Name tert-butyl (2S)-2-benzylpiperazine-1-carboxylate
InChI Key QKUHUJCLUFLGCI-AWEZNQCLSA-N
Molecular Formula C16H24N2O2
5

(S)-ML753286, MedChemExpress

MedChemExpress (S)-ML753286 is a breast cancer resistance protein (BCRP) inhibitor with an IC50 of 0.6 μM on BCRP efflux transporter.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 355.43
Color Off-White
Physical Form Solid
Chemical Name or Material (S)-ML753286
Grade Research
SMILES COC1=CC=C2C(NC3=C2C[C@]4([H])N(C([C@H](C)NC4=O)=O)[C@H]3CC(C)C)=C1
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.62%
CAS 1699720-85-8
Solubility Information DMSO : ≥ 50 mg/mL (140.67 mM)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C20H25N3O3
Formula Weight 355.43
6

1,4-Diazabicyclo[2.2.2]octane, 98%

CAS: 280-57-9 Molecular Formula: C6H12N2 Molecular Weight (g/mol): 112.176 MDL Number: MFCD00006689 InChI Key: IMNIMPAHZVJRPE-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 PubChem CID: 9237 IUPAC Name: 1,4-diazabicyclo[2.2.2]octane SMILES: C1CN2CCN1CC2

PubChem CID 9237
CAS 280-57-9
Molecular Weight (g/mol) 112.176
MDL Number MFCD00006689
SMILES C1CN2CCN1CC2
Synonym 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25
IUPAC Name 1,4-diazabicyclo[2.2.2]octane
InChI Key IMNIMPAHZVJRPE-UHFFFAOYSA-N
Molecular Formula C6H12N2
7
Promotions Available

1,4-Diazabicyclo[2.2.2]octane, 97%

CAS: 280-57-9 Molecular Formula: C6H12N2 Molecular Weight (g/mol): 112.17 MDL Number: MFCD00006689 InChI Key: IMNIMPAHZVJRPE-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 PubChem CID: 9237 IUPAC Name: 1,4-diazabicyclo[2.2.2]octane SMILES: C1CN2CCN1CC2

PubChem CID 9237
CAS 280-57-9
Molecular Weight (g/mol) 112.17
MDL Number MFCD00006689
SMILES C1CN2CCN1CC2
Synonym 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25
IUPAC Name 1,4-diazabicyclo[2.2.2]octane
InChI Key IMNIMPAHZVJRPE-UHFFFAOYSA-N
Molecular Formula C6H12N2
8

GLX351322, MedChemExpress

MedChemExpress GLX351322 is an inhibitor of NADPH oxidase 4 (Nox4), and inhibits hydrogen peroxide production from NOX4-overexpressing cells with an IC50 of 5 μM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 431.51
Color White
Physical Form Solid
Chemical Name or Material GLX351322
Grade Research
SMILES O=C(OCC)C1=C(SC2=C1CCC2)NC(CN3CCN(CC3)C(C4=CC=CO4)=O)=O
For Use With (Application) Metabolism-sugar/lipid metabolism
Percent Purity 99.94%
CAS 835598-94-2
Solubility Information DMSO : 20 mg/mL (46.35 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C21H25N3O5S
Formula Weight 431.51
9

Indinavir sulfate, MedChemExpress

MedChemExpress Indinavir sulfate (MK-639) is an orally active and selective HIV-1 protease inhibitor with a Ki of 0.54 nM for PR. Indinavir sulfate exhibits anticancer activity by inhibiting the activation of MMPs-2 hydrolysis, anti-angiogenesis and inducing apoptosis. Indinavir sulfate is also a SARS-CoV 3CLpro inhibitor.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 711.87
Color White
Physical Form Powder
Chemical Name or Material Indinavir sulfate
Grade Research
SMILES O=C([C@@H](C[C@H](O)CN(CCN(CC1=CN=CC=C1)C2)[C@@H]2C(NC(C)(C)C)=O)CC3=CC=CC=C3)N[C@H]4C(C=CC=C5)=C5C[C@H]4O.O=S(O)(O)=O
For Use With (Application) COVID-19-anti-virus
Percent Purity 99.62%
CAS 157810-81-6
Solubility Information DMSO : ≥ 100 mg/mL (140.48 mM) ∣H2O : 50 mg/mL (70.24 mM; Need ultrasonic)
Synonym MK-639 L735524
Purity Grade Notes Research
Recommended Storage -20°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life -20°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C36H49N5O8S
Formula Weight 711.87
10

(S)-1,4-Diazabicyclo[4.3.0]nonane, 98+%

CAS: 93643-24-4 Molecular Formula: C7H14N2 Molecular Weight (g/mol): 126.20 MDL Number: MFCD03787926 InChI Key: FTTATHOUSOIFOQ-SSDOTTSWSA-N Synonym: s-octahydropyrrolo 1,2-a pyrazine,s-1,4-diazabicyclo 4.3.0 nonane,8as-octahydropyrrolo 1,2-a pyrazine,8as-octahydropyrrolo 1,2-a piperazine,s-octahydro-pyrrolo 1,2-a pyrazine,6s-1,4-diazabicyclo 4.3.0 nonane,pyrrolo 1,2-a pyrazine, octahydro-, 8as,8as-1,2,3,4,6,7,8,8a-octahydropyrrolo 1,2-a pyrazine,pubchem20597,6s-1,4-diazabicyclo 4,3,0 nonane PubChem CID: 781249 SMILES: C1C[C@@H]2CNCCN2C1

PubChem CID 781249
CAS 93643-24-4
Molecular Weight (g/mol) 126.20
MDL Number MFCD03787926
SMILES C1C[C@@H]2CNCCN2C1
Synonym s-octahydropyrrolo 1,2-a pyrazine,s-1,4-diazabicyclo 4.3.0 nonane,8as-octahydropyrrolo 1,2-a pyrazine,8as-octahydropyrrolo 1,2-a piperazine,s-octahydro-pyrrolo 1,2-a pyrazine,6s-1,4-diazabicyclo 4.3.0 nonane,pyrrolo 1,2-a pyrazine, octahydro-, 8as,8as-1,2,3,4,6,7,8,8a-octahydropyrrolo 1,2-a pyrazine,pubchem20597,6s-1,4-diazabicyclo 4,3,0 nonane
InChI Key FTTATHOUSOIFOQ-SSDOTTSWSA-N
Molecular Formula C7H14N2
11

(S)-1-Boc-2-ethylpiperazine, 97%, Thermo Scientific™

CAS: 325145-35-5 Molecular Formula: C11H22N2O2 Molecular Weight (g/mol): 214.309 MDL Number: MFCD07772100 InChI Key: CTCGRXDGXGUOTE-VIFPVBQESA-N Synonym: s-1-boc-2-ethyl-piperazine,s-1-boc-2-ethylpiperazine,s-tert-butyl 2-ethylpiperazine-1-carboxylate,s-1-n-boc-2-ethylpiperazine,tert-butyl 2s-2-ethylpiperazine-1-carboxylate,s-2-ethylpiperazine, n1-boc protected,1-piperazinecarboxylic acid, 2-ethyl-, 1,1-dimethylethyl ester, 2s,2s-1-n-boc-2-ethylpiperazine,2s-2-ethyl-1-piperazinecarboxylic acid 1,1-dimethylethyl ester,2s-2-ethyl-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester PubChem CID: 17750462 IUPAC Name: tert-butyl (2S)-2-ethylpiperazine-1-carboxylate SMILES: CCC1CNCCN1C(=O)OC(C)(C)C

PubChem CID 17750462
CAS 325145-35-5
Molecular Weight (g/mol) 214.309
MDL Number MFCD07772100
SMILES CCC1CNCCN1C(=O)OC(C)(C)C
Synonym s-1-boc-2-ethyl-piperazine,s-1-boc-2-ethylpiperazine,s-tert-butyl 2-ethylpiperazine-1-carboxylate,s-1-n-boc-2-ethylpiperazine,tert-butyl 2s-2-ethylpiperazine-1-carboxylate,s-2-ethylpiperazine, n1-boc protected,1-piperazinecarboxylic acid, 2-ethyl-, 1,1-dimethylethyl ester, 2s,2s-1-n-boc-2-ethylpiperazine,2s-2-ethyl-1-piperazinecarboxylic acid 1,1-dimethylethyl ester,2s-2-ethyl-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester
IUPAC Name tert-butyl (2S)-2-ethylpiperazine-1-carboxylate
InChI Key CTCGRXDGXGUOTE-VIFPVBQESA-N
Molecular Formula C11H22N2O2
12

(S)-1,4-Diazabicyclo[4.3.0]nonane, 98%, Thermo Scientific™

CAS: 93643-24-4 Molecular Formula: C7H14N2 Molecular Weight (g/mol): 126.20 MDL Number: MFCD03787926 InChI Key: FTTATHOUSOIFOQ-SSDOTTSWSA-N Synonym: s-octahydropyrrolo 1,2-a pyrazine,s-1,4-diazabicyclo 4.3.0 nonane,8as-octahydropyrrolo 1,2-a pyrazine,8as-octahydropyrrolo 1,2-a piperazine,s-octahydro-pyrrolo 1,2-a pyrazine,6s-1,4-diazabicyclo 4.3.0 nonane,pyrrolo 1,2-a pyrazine, octahydro-, 8as,8as-1,2,3,4,6,7,8,8a-octahydropyrrolo 1,2-a pyrazine,pubchem20597,6s-1,4-diazabicyclo 4,3,0 nonane PubChem CID: 781249 IUPAC Name: (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine SMILES: C1C[C@@H]2CNCCN2C1

PubChem CID 781249
CAS 93643-24-4
Molecular Weight (g/mol) 126.20
MDL Number MFCD03787926
SMILES C1C[C@@H]2CNCCN2C1
Synonym s-octahydropyrrolo 1,2-a pyrazine,s-1,4-diazabicyclo 4.3.0 nonane,8as-octahydropyrrolo 1,2-a pyrazine,8as-octahydropyrrolo 1,2-a piperazine,s-octahydro-pyrrolo 1,2-a pyrazine,6s-1,4-diazabicyclo 4.3.0 nonane,pyrrolo 1,2-a pyrazine, octahydro-, 8as,8as-1,2,3,4,6,7,8,8a-octahydropyrrolo 1,2-a pyrazine,pubchem20597,6s-1,4-diazabicyclo 4,3,0 nonane
IUPAC Name (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
InChI Key FTTATHOUSOIFOQ-SSDOTTSWSA-N
Molecular Formula C7H14N2
13

(S)-1-BOC-3-methylpiperazine, 98%, ACROS Organics™

CAS: 147081-29-6 Molecular Formula: C10H20N2O2 Molecular Weight (g/mol): 200.282 MDL Number: MFCD02683204 InChI Key: FMLPQHJYUZTHQS-QMMMGPOBSA-N Synonym: s-4-n-boc-2-methylpiperazine,s-4-n-boc-2-methyl piperazine,s-tert-butyl 3-methylpiperazine-1-carboxylate,s-4-boc-2-methylpiperazine,s-1-boc-3-methyl-piperazine,tert-butyl 3s-3-methylpiperazine-1-carboxylate,s-1-boc-3-methylpiperazine,s-4bocmp,4-boc-2-s-methyl-piperazine,s-1-n-boc-3-methylpiperazine PubChem CID: 7023035 IUPAC Name: tert-butyl (3S)-3-methylpiperazine-1-carboxylate SMILES: CC1CN(CCN1)C(=O)OC(C)(C)C

PubChem CID 7023035
CAS 147081-29-6
Molecular Weight (g/mol) 200.282
MDL Number MFCD02683204
SMILES CC1CN(CCN1)C(=O)OC(C)(C)C
Synonym s-4-n-boc-2-methylpiperazine,s-4-n-boc-2-methyl piperazine,s-tert-butyl 3-methylpiperazine-1-carboxylate,s-4-boc-2-methylpiperazine,s-1-boc-3-methyl-piperazine,tert-butyl 3s-3-methylpiperazine-1-carboxylate,s-1-boc-3-methylpiperazine,s-4bocmp,4-boc-2-s-methyl-piperazine,s-1-n-boc-3-methylpiperazine
IUPAC Name tert-butyl (3S)-3-methylpiperazine-1-carboxylate
InChI Key FMLPQHJYUZTHQS-QMMMGPOBSA-N
Molecular Formula C10H20N2O2
14

ZINC03129319, MedChemExpress

MedChemExpress ZINC03129319 is a dengue virus (DENV) NS2B-NS3 protease inhibitor extracted from patent US20150141521A1, has inhibition constants (Ki1) of 92 μM and Ki3 of 20 μM.

ENCOMPASS_PREFERRED