G631-0131 Screening compound: 1-(benzenesulfonyl)-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
Chemical Structure Depiction of ChemDiv screening compound G631-0131
1-(benzenesulfonyl)-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
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
G631-0131
Molecular Formula
C20H22N4O4S (C20 H22 N4 O4 S)
Compound Name
1-(benzenesulfonyl)-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
IUPAC name
1-(benzenesulfonyl)-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILES
O=C(C(CCC1=O)N1S(c1ccccc1)(=O)=O)N(CC1)CCN1c1ncccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
414.49
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.435
Distribution Coefficient, logD
1.426
Water Solubility, LogSw
-2.26
Polar Surface Area
74.635
Acid Dissociation Constant (pKa)
13.63
Base Dissociation Constant (pKb)
5.71
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
35.00
G631-0131 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
Epigenetics Focused Set (26518 compounds)
Included in 1.7M Stock Database
- Immune system
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with G631-0131 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)