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Imidazoles

Aromatic organic heterocyclic compounds that consist of a diazole with non-adjacent nitrogen atoms with the formula: C3N2H4.

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1

1-Ethyl-3-methylimidazolium dicyanamide, 98%

CAS: 370865-89-7 Molecular Formula: C8H11N5 Molecular Weight (g/mol): 177.211 MDL Number: MFCD08276373 InChI Key: MKHFCTXNDRMIDR-UHFFFAOYSA-N Synonym: 1-ethyl-3-methylimidazolium dicyanamide,ethylmethylimidazolium dicyanamide,emim dca,acmc-209iqn,basionics™ vs 03,dsstox_cid_27940,dsstox_rid_82692,dsstox_gsid_47964,ksc221g0h PubChem CID: 11159638 IUPAC Name: cyanoiminomethylideneazanide;1-ethyl-3-methylimidazol-3-ium SMILES: CCN1C=C[N+](=C1)C.C(=[N-])=NC#N

PubChem CID 11159638
CAS 370865-89-7
Molecular Weight (g/mol) 177.211
MDL Number MFCD08276373
SMILES CCN1C=C[N+](=C1)C.C(=[N-])=NC#N
Synonym 1-ethyl-3-methylimidazolium dicyanamide,ethylmethylimidazolium dicyanamide,emim dca,acmc-209iqn,basionics™ vs 03,dsstox_cid_27940,dsstox_rid_82692,dsstox_gsid_47964,ksc221g0h
IUPAC Name cyanoiminomethylideneazanide;1-ethyl-3-methylimidazol-3-ium
InChI Key MKHFCTXNDRMIDR-UHFFFAOYSA-N
Molecular Formula C8H11N5
2

1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 IUPAC Name: 1-methylimidazole SMILES: CN1C=CN=C1

PubChem CID 1390
CAS 616-47-7
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:113454
MDL Number MFCD00005292
SMILES CN1C=CN=C1
Synonym 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
IUPAC Name 1-methylimidazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
3

Thermo Scientific Chemicals 1-Methylimidazole, for biochemistry, anhydrous, AcroSeal™

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N IUPAC Name: 1-methyl-1H-imidazole SMILES: CN1C=CN=C1

CAS 616-47-7
Molecular Weight (g/mol) 82.11
MDL Number MFCD00005292
SMILES CN1C=CN=C1
IUPAC Name 1-methyl-1H-imidazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
4

1,2-Dimethylimidazole, 96+%

CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C

PubChem CID 15617
CAS 1739-84-0
Molecular Weight (g/mol) 96.13
MDL Number MFCD00005294
SMILES CN1C=CN=C1C
Synonym 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole
IUPAC Name 1,2-dimethylimidazole
InChI Key GIWQSPITLQVMSG-UHFFFAOYSA-N
Molecular Formula C5H8N2
5

4-Nitroimidazole, 98%

CAS: 3034-38-6 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00005196 InChI Key: VYDWQPKRHOGLPA-UHFFFAOYSA-N Synonym: 4-nitroimidazole,4-nitro-1h-imidazole,1h-imidazole, 4-nitro,5-nitroimidazole,4 5-nitroimidazole,imidazole, 4-nitro,1h-imidazole, 5-nitro,unii-y8u32az5o7,5 4-nitroimidazole,4-nitro-3h-imidazole PubChem CID: 18208 ChEBI: CHEBI:64635 IUPAC Name: 5-nitro-1H-imidazole SMILES: [O-][N+](=O)C1=CN=CN1

PubChem CID 18208
CAS 3034-38-6
Molecular Weight (g/mol) 113.08
ChEBI CHEBI:64635
MDL Number MFCD00005196
SMILES [O-][N+](=O)C1=CN=CN1
Synonym 4-nitroimidazole,4-nitro-1h-imidazole,1h-imidazole, 4-nitro,5-nitroimidazole,4 5-nitroimidazole,imidazole, 4-nitro,1h-imidazole, 5-nitro,unii-y8u32az5o7,5 4-nitroimidazole,4-nitro-3h-imidazole
IUPAC Name 5-nitro-1H-imidazole
InChI Key VYDWQPKRHOGLPA-UHFFFAOYSA-N
Molecular Formula C3H3N3O2
6

Cordycepin, MedChemExpress

MedChemExpress Cordycepin (3'-Deoxyadenosine) is a nucleoside derivative and inhibits IL-1β-induced MMP-1 and MMP-3 expression in rheumatoid arthritis synovial fibroblasts (RASFs) in a dose-dependent manner. Cordycepin kills Mycobacterium tuberculosis through hijacking the bacterial adenosine kinase.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 251.24
Color White
Physical Form Solid
Chemical Name or Material Cordycepin
Grade Research
SMILES OC[C@@H]1C[C@H]([C@H](N2C=NC3=C2N=CN=C3N)O1)O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.64%
CAS 73-03-0
Solubility Information DMSO : 50 mg/mL (199.01 mM; Need ultrasonic) ∣H2O : 2 mg/mL (7.96 mM; ultrasonic and warming and heat to 60°C)
Synonym 3'-Deoxyadenosine
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 C10H13N5O3
Formula Weight 251.24
7

NAI-N3, MedChemExpress

MedChemExpress NAI-N3 is a RNA acylation reagent that enables RNA purification. NAI-N3 is a dual-function SHAPE (selective 2-hydroxyl acylation and profiling experiment) probe (RNA structure probe and enrichment).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 228.21
Color White
Physical Form Solid
Chemical Name or Material NAI-N3
Grade Research
SMILES O=C(C1=CC=CN=C1CN=[N+]=[N-])N2C=CN=C2
Percent Purity 95.0%
CAS 1612756-29-2
Solubility Information DMSO : 250 mg/mL (1095.48 mM; ultrasonic and warming and heat to 60°C)
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C10H8N6O
Formula Weight 228.21
8

SQ22536, MedChemExpress

MedChemExpress SQ22536 is an effective adenylate cyclase (AC) inhibitor.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 205.22
Color White
Physical Form Solid
Chemical Name or Material SQ22536
Grade Research
SMILES NC1=C2N=CN(C3OCCC3)C2=NC=N1
For Use With (Application) Metabolism-protein/nucleotide metabolism
Percent Purity 98.41%
CAS 17318-31-9
Solubility Information DMSO : 100 mg/mL (487.28 mM; Need ultrasonic) ∣H2O : 55 mg/mL (268.01 mM; Need ultrasonic)
Health Hazard 1 H315∣H319∣H335
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 C9H11N5O
Formula Weight 205.22
9

Purmorphamine, MedChemExpress

MedChemExpress Purmorphamine is a smoothened/Smo receptor agonist with an EC50 of 1 μM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 520.62
Color Off-White
Physical Form Solid
Chemical Name or Material Purmorphamine
Grade Research
SMILES N1(C2=CC=C(NC3=NC(OC4=CC=CC5=C4C=CC=C5)=NC6=C3N=CN6C7CCCCC7)C=C2)CCOCC1
For Use With (Application) Cancer-Kinase/protease
Percent Purity 99.2%
CAS 483367-10-8
Solubility Information DMSO : 33.33 mg/mL (64.02 mM; Need ultrasonic)
Health Hazard 1 H302∣H315∣H319∣H335
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 C31H32N6O2
Formula Weight 520.62
10

Pracinostat, MedChemExpress

MedChemExpress Pracinostat is a potent histone deacetylase (HDAC) inhibitor, with IC50s of 40-140 nM, used for cancer research.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 358.48
Color White
Physical Form Solid
Chemical Name or Material Pracinostat
Grade Research
SMILES ONC(/C=C/C1=CC=C2N(C(CCCC)=NC2=C1)CCN(CC)CC)=O
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.83%
CAS 929016-96-6
Solubility Information DMSO : 250 mg/mL (697.39 mM; Need ultrasonic)
Synonym SB939
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 C20H30N4O2
Formula Weight 358.48
11

GSK840, MedChemExpress

MedChemExpress GSK840 (GSK'840) is a receptor-interacting protein kinase 3 (RIP3 or RIPK3) inhibitor, which binds RIP3 kinase domain with an IC50 of 0.9 nM, and inhibits kinase activity with an IC50 of 0.3 nM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 365.43
Color Light Yellow
Physical Form Solid
Chemical Name or Material GSK840
Grade Research
SMILES O=C(OC(C)(C)C)CC1=CC=C(N2C3=CC=C(C(NC)=O)C=C3N=C2)C=C1
For Use With (Application) COVID-19-immunoregulation
Percent Purity 98.0%
CAS 2361146-30-5
Solubility Information DMSO : 110 mg/mL (301.02 mM; Need ultrasonic)
Synonym GSK'840
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 C21H23N3O3
Formula Weight 365.43
12

SKL2001, MedChemExpress

MedChemExpress SKL2001 is an agonist of the Wnt/β-catenin pathway, with anti-cancer activity. SKL2001 stabilizes intracellular β-catenin via disruption of the Axin/β-catenin interaction.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 286.29
Color Off-White
Physical Form Solid
Chemical Name or Material SKL2001
Grade Research
SMILES O=C(C1=NOC(C2=CC=CO2)=C1)NCCCN3C=CN=C3
For Use With (Application) Cancer-programmed cell death
Percent Purity 99.54%
CAS 909089-13-0
Solubility Information DMSO : ≥ 96.66 mg/mL (337.63 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 C14H14N4O3
Formula Weight 286.29
13

GS-444217, MedChemExpress

MedChemExpress GS-444217 is a potent, orally available and selective ATP-competitive inhibitor of apoptosis signal-regulating kinase 1 (ASK1) with an IC50 of 2.87 nM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 411.46
Color Off-White
Physical Form Solid
Chemical Name or Material GS-444217
Grade Research
SMILES O=C(C1=NC=CC(N2C=C(C3CC3)N=C2)=C1)NC4=CC=CC(C5=NN=CN5C6CC6)=C4
For Use With (Application) Cancer-Kinase/protease
Percent Purity 99.43%
CAS 1262041-49-5
Solubility Information DMSO : 15.5 mg/mL (37.67 mM; Need ultrasonic and warming)
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 C23H21N7O
Formula Weight 411.46
14

L-655708, MedChemExpress

MedChemExpress L-655708 is a potent α5 subunit-selective GABAA receptor inverse agonist (Ki=0.45 nM).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 341.36
Color White
Physical Form Solid
Chemical Name or Material L-655708
Grade Research
SMILES COC1=CC=C(C2=C1)N3C=NC(C(OCC)=O)=C3[C@@]4([H])N(CCC4)C2=O
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 99.08%
CAS 130477-52-0
Solubility Information DMSO : 20 mg/mL (58.59 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 C18H19N3O4
Formula Weight 341.36
15

PF-2771, MedChemExpress

MedChemExpress PF-2771 is a potent and selective centromere protein E (CENP-E) inhibitor, inhibiting CENP-E motor activity with an IC50 of 16.1 nM; PF-2771 is used as an anticancer agent.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 554.08
Color White
Physical Form Solid
Chemical Name or Material PF-2771
Grade Research
SMILES ClC1=CC(C(N[C@@H](CC2=CC=C(C3=CN(C)C(C(C)=O)=N3)C=C2)CNC(CN(C)C)=O)=O)=CC=C1OC(C)C
For Use With (Application) Cancer-Kinase/protease
Percent Purity 96.44%
CAS 2070009-55-9
Solubility Information DMSO : ≥ 32 mg/mL (57.75 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 C29H36ClN5O4
Formula Weight 554.08