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Cumenes

Organic compounds that consist of a benzene ring with an isopropyl functional group; isopropyl groups consist of an ethyl chain with a methyl group in the first carbon atom. These compounds are also known as isopropylbenzenes.
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1

2,6-Diisopropylaniline, 90+%

CAS: 24544-04-5 Molecular Formula: C12H19N Molecular Weight (g/mol): 177.29 MDL Number: MFCD00008887 InChI Key: WKBALTUBRZPIPZ-UHFFFAOYSA-N Synonym: 2,6-diisopropylaniline,benzenamine, 2,6-bis 1-methylethyl,2,6-diisopropyl aniline,aniline, 2,6-diisopropyl,diisopropylaniline,2,6-diisopropylphenylamine,2,6-bis propan-2-yl aniline,2,6-dilsopropylaniline,2,6-di propan-2-yl aniline,2,6-bis 1-methylethyl aniline PubChem CID: 32484 IUPAC Name: 2,6-di(propan-2-yl)aniline SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N

EDGE
PubChem CID 32484
CAS 24544-04-5
Molecular Weight (g/mol) 177.29
MDL Number MFCD00008887
SMILES CC(C)C1=C(C(=CC=C1)C(C)C)N
Synonym 2,6-diisopropylaniline,benzenamine, 2,6-bis 1-methylethyl,2,6-diisopropyl aniline,aniline, 2,6-diisopropyl,diisopropylaniline,2,6-diisopropylphenylamine,2,6-bis propan-2-yl aniline,2,6-dilsopropylaniline,2,6-di propan-2-yl aniline,2,6-bis 1-methylethyl aniline
IUPAC Name 2,6-di(propan-2-yl)aniline
InChI Key WKBALTUBRZPIPZ-UHFFFAOYSA-N
Molecular Formula C12H19N
2

Cumene, 99%, pure

CAS: 98-82-8 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.19 MDL Number: MFCD00008881 InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N Synonym: isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano PubChem CID: 7406 ChEBI: CHEBI:34656 IUPAC Name: cumene SMILES: CC(C)C1=CC=CC=C1

PubChem CID 7406
CAS 98-82-8
Molecular Weight (g/mol) 120.19
ChEBI CHEBI:34656
MDL Number MFCD00008881
SMILES CC(C)C1=CC=CC=C1
Synonym isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano
IUPAC Name cumene
InChI Key RWGFKTVRMDUZSP-UHFFFAOYSA-N
Molecular Formula C9H12
3

Cumene, 98%, pure

CAS: 98-82-8 MDL Number: MFCD00008881 InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N Synonym: isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano PubChem CID: 7406 ChEBI: CHEBI:34656 IUPAC Name: cumene SMILES: CC(C)C1=CC=CC=C1

PubChem CID 7406
CAS 98-82-8
ChEBI CHEBI:34656
MDL Number MFCD00008881
SMILES CC(C)C1=CC=CC=C1
Synonym isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano
IUPAC Name cumene
InChI Key RWGFKTVRMDUZSP-UHFFFAOYSA-N
4

Cumene, 99.9%, extra pure

CAS: 98-82-8 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.19 MDL Number: MFCD00008881 InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N Synonym: isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano PubChem CID: 7406 ChEBI: CHEBI:34656 IUPAC Name: cumene SMILES: CC(C)C1=CC=CC=C1

PubChem CID 7406
CAS 98-82-8
Molecular Weight (g/mol) 120.19
ChEBI CHEBI:34656
MDL Number MFCD00008881
SMILES CC(C)C1=CC=CC=C1
Synonym isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano
IUPAC Name cumene
InChI Key RWGFKTVRMDUZSP-UHFFFAOYSA-N
Molecular Formula C9H12
5

1,3,5-Triisopropylbenzene, 95%

CAS: 717-74-8 Molecular Formula: C15H24 Molecular Weight (g/mol): 204.35 MDL Number: MFCD00008890 InChI Key: VUMCUSHVMYIRMB-UHFFFAOYSA-N Synonym: 1,3,5-triisopropylbenzene,2,4,6-triisopropylbenzene,benzene, 1,3,5-tris 1-methylethyl,1,3,5-tris propan-2-yl benzene,unii-fr9y346wpb,benzene, 1,3,5-triisopropyl,fr9y346wpb,benzene, tris 1-methylethyl,pubchem13720,1,5-triisopropylbenzene PubChem CID: 12860 IUPAC Name: 1,3,5-tri(propan-2-yl)benzene SMILES: CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C

PubChem CID 12860
CAS 717-74-8
Molecular Weight (g/mol) 204.35
MDL Number MFCD00008890
SMILES CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C
Synonym 1,3,5-triisopropylbenzene,2,4,6-triisopropylbenzene,benzene, 1,3,5-tris 1-methylethyl,1,3,5-tris propan-2-yl benzene,unii-fr9y346wpb,benzene, 1,3,5-triisopropyl,fr9y346wpb,benzene, tris 1-methylethyl,pubchem13720,1,5-triisopropylbenzene
IUPAC Name 1,3,5-tri(propan-2-yl)benzene
InChI Key VUMCUSHVMYIRMB-UHFFFAOYSA-N
Molecular Formula C15H24
6

4-Isopropylphenol, 98%

CAS: 99-89-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00002372 InChI Key: YQUQWHNMBPIWGK-UHFFFAOYSA-N Synonym: 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol PubChem CID: 7465 IUPAC Name: 4-propan-2-ylphenol SMILES: CC(C)C1=CC=C(C=C1)O

PubChem CID 7465
CAS 99-89-8
Molecular Weight (g/mol) 136.19
MDL Number MFCD00002372
SMILES CC(C)C1=CC=C(C=C1)O
Synonym 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol
IUPAC Name 4-propan-2-ylphenol
InChI Key YQUQWHNMBPIWGK-UHFFFAOYSA-N
Molecular Formula C9H12O
7

4-Isopropylaniline, 99%

CAS: 99-88-7 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00007900 InChI Key: LRTFPLFDLJYEKT-UHFFFAOYSA-N Synonym: 4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl PubChem CID: 7464 ChEBI: CHEBI:43405 IUPAC Name: 4-propan-2-ylaniline SMILES: CC(C)C1=CC=C(C=C1)N

PubChem CID 7464
CAS 99-88-7
Molecular Weight (g/mol) 135.21
ChEBI CHEBI:43405
MDL Number MFCD00007900
SMILES CC(C)C1=CC=C(C=C1)N
Synonym 4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl
IUPAC Name 4-propan-2-ylaniline
InChI Key LRTFPLFDLJYEKT-UHFFFAOYSA-N
Molecular Formula C9H13N
8

Sobetirome, MedChemExpress

MedChemExpress Sobetirome (GC-1) is a thyroid hormone receptor β (TRβ)-specific agonist which bind selectively to TRβ-1 with an EC50 of 0.16 μM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 328.4
Color Off-White
Physical Form Powder
Chemical Name or Material Sobetirome
Grade Research
SMILES O=C(O)COC1=CC(C)=C(CC2=CC=C(O)C(C(C)C)=C2)C(C)=C1
For Use With (Application) Metabolism-protein/nucleotide metabolism
Percent Purity 95.0%
CAS 211110-63-3
Solubility Information DMSO : 100 mg/mL (304.51 mM; Need ultrasonic)
Synonym GC-1 QRX-431
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 C20H24O4
Formula Weight 328.4
9

ST271, MedChemExpress

MedChemExpress ST271 is a potent inhibitor of protein tyrosine kinase (PTK), inhibits phospholipase D activation stimulated by fMet-Leu-Phe and PAF, with IC50s of 6.7 and 9 μM, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 272.34
Color Yellow
Physical Form Solid
Chemical Name or Material ST271
Grade Research
SMILES O=C(N)/C(C#N)=C/C1=CC(C(C)C)=C(O)C(C(C)C)=C1
Percent Purity 98.9%
CAS 106392-48-7
Solubility Information DMSO : ≥ 110 mg/mL (403.91 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 C16H20N2O2
Formula Weight 272.34
10

Gossypol, MedChemExpress

MedChemExpress Gossypol binds to Bcl-xL protein and Bcl-2 protein with Kis of 0.5-0.6 μM and 0.2-0.3 mM, respectively.

ENCOMPASS_PREFERRED
11

TW-37, MedChemExpress

MedChemExpress TW-37 is a potent Bcl-2 inhibitor with Ki values of 260, 290 and 1110 nM for Mcl-1, Bcl-2 and Bcl-xL, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 573.7
Color Off-White
Physical Form Powder
Chemical Name or Material TW-37
Grade Research
SMILES O=C(C1=CC(CC2=CC=CC=C2C(C)C)=C(C(O)=C1O)O)NC3=CC=C(C=C3)S(=O)(C4=CC=CC=C4C(C)(C)C)=O
For Use With (Application) Cancer-programmed cell death
Percent Purity 96.73%
CAS 877877-35-5
Solubility Information DMSO : ≥ 42 mg/mL (73.21 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 C33H35NO6S
Formula Weight 573.7
12

ST-193, MedChemExpress

MedChemExpress ST-193 is a potent broad-spectrum arenavirus inhibitor; inhibits Guanarito, Junin, Lassa and Machupo virus with IC50 values of 0.44, 0.62, 1.4 and 3.1 nM, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 371.47
Color Pink
Physical Form Solid
Chemical Name or Material ST-193
Grade Research
SMILES CC(C1=CC=C(CNC2=CC=C3C(N=CN3C4=CC=C(OC)C=C4)=C2)C=C1)C
For Use With (Application) COVID-19-anti-virus
Percent Purity 99.86%
CAS 489416-12-8
Solubility Information DMSO : 100 mg/mL (269.20 mM; Need ultrasonic)
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 C24H25N3O
Formula Weight 371.47
13

PZ-2891, MedChemExpress

MedChemExpress PZ-2891 is an orally bioavailable, brain penetrant pantothenate kinase (PANK) modulator. PZ-2891 act as an orthosteric inhibitor at high concentrations and an allosteric activator at lower sub-saturating concentrations. PZ-2891 inhibits human pantothenate kinases PANK1β, PANK2, and PANK3 with IC50s of 40.2 nM, 0.7 nM and 1.3 nM, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 349.43
Color Off-White
Physical Form Solid
Chemical Name or Material PZ-2891
Grade Research
SMILES N#CC1=NN=C(N2CCN(C(CC3=CC=C(C(C)C)C=C3)=O)CC2)C=C1
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 98.4%
CAS 2170608-82-7
Solubility Information DMSO : 75 mg/mL (214.64 mM; Need ultrasonic)
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 C20H23N5O
Formula Weight 349.43
14

Rosmanol, MedChemExpress

MedChemExpress Rosmanol could inhibit the oxidation of low density lipoprotein (LPL) and significantly inhibit lipopolysaccharide induced iNOS and COX-2 expression, with anti-inflammatory effect.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 346.42
Color Off-White
Physical Form Solid
Chemical Name or Material Rosmanol
Grade Research
SMILES O=C1O[C@]2([H])[C@@H](O)C3=C(C(O)=C(O)C(C(C)C)=C3)[C@@]41CCCC(C)(C)[C@]24[H]
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 96.0%
CAS 80225-53-2
Solubility Information DMSO : 100 mg/mL (288.67 mM; Need ultrasonic)
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 C20H26O5
Formula Weight 346.42
15

Calcium-Sensing Receptor Antagonists I, MedChemExpress

MedChemExpress Calcium-Sensing Receptor Antagonists I is an antagonist of calcium-sensing parathyroid hormone receptors.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 360.45
Color Light Yellow
Physical Form Solid
Chemical Name or Material Calcium-Sensing Receptor Antagonists I
Grade Research
SMILES C#CCOC1=CC2=C(N(C(N=C2C3=CC=C(C(C)C)C=C3)=O)C(C)C)C=C1
Percent Purity 99.91%
CAS 478963-79-0
Solubility Information DMSO : ≥ 100 mg/mL (277.43 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 C23H24N2O2
Formula Weight 360.45