G937-1591 Screening compound: ethyl 1,2,5-trimethyl-4-[(3-{[(pyridin-3-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound G937-1591
ethyl 1,2,5-trimethyl-4-[(3-{[(pyridin-3-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
G937-1591
Molecular Formula
C22H30N4O5S (C22 H30 N4 O5 S)
Compound Name
ethyl 1,2,5-trimethyl-4-[(3-{[(pyridin-3-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate
IUPAC name
ethyl 125-trimethyl-4-[(3-{[(pyridin-3-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate
SMILES
CCOC(c1c(C)n(C)c(C)c1S(N(CCC1)CC1C(NCc1cnccc1)=O)(=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
462.57
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
0.326
Distribution Coefficient, logD
0.324
Water Solubility, LogSw
-1.73
Polar Surface Area
89.347
Acid Dissociation Constant (pKa)
12.74
Base Dissociation Constant (pKb)
5.15
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
G937-1591 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Aurora A-B Kinases Targeted Library (9426 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Cancer
- Digestive system
- Male
- Female
- Hemic and lymphatic
- Others
- GPCR
- Kinases
- Epigenetic
- Receptor's ligands
References: we are preparing a list of scientific research reports with G937-1591 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)