G839-0129 Screening compound: 2-(3-benzenesulfonamidobenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

G839-0129 Screening compound: 2-(3-benzenesulfonamidobenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
G839-0129 Screening compound: 2-(3-benzenesulfonamidobenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G839-0129
2-(3-benzenesulfonamidobenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

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

G839-0129

Molecular Formula

C21H19N3O4S2 (C21 H19 N3 O4 S2)

Compound Name

2-(3-benzenesulfonamidobenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

IUPAC name

2-(3-benzenesulfonamidobenzamido)-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

NC(c1c(NC(c2cccc(NS(c3ccccc3)(=O)=O)c2)=O)sc2c1CCC2)=O

InChI

InChI=1S/C21H19N3O4S2/c22-19(25)18-16-10-5-11-17(16)29-21(18)23-20(26)13-6-4-7-14(12-13)24-30(27,28)15-8-2-1-3-9-15/h1-4,6-9,12,24H,5,10-11H2,(H2,22,25)(H,23,26)

InChI Key

XYPOTFNTYDBEEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07723548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.443

Distribution Coefficient, logD

0.434

Water Solubility, LogSw

-3.07

Polar Surface Area

98.119

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G839-0129 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G839-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G839-0129?
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What is the minimum amount of G839-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G839-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G839-0129
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G839-0129 available by request