G839-0048 Screening compound: 2-{4-[bis(2-cyanoethyl)sulfamoyl]benzamido}-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

G839-0048 Screening compound: 2-{4-[bis(2-cyanoethyl)sulfamoyl]benzamido}-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
G839-0048 Screening compound: 2-{4-[bis(2-cyanoethyl)sulfamoyl]benzamido}-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G839-0048
2-{4-[bis(2-cyanoethyl)sulfamoyl]benzamido}-N-methyl-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

G839-0048

Molecular Formula

C22H23N5O4S2 (C22 H23 N5 O4 S2)

Compound Name

2-{4-[bis(2-cyanoethyl)sulfamoyl]benzamido}-N-methyl-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

IUPAC name

2-{4-[bis(2-cyanoethyl)sulfamoyl]benzamido}-N-methyl-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

CNC(c1c(NC(c(cc2)ccc2S(N(CCC#N)CCC#N)(=O)=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C22H23N5O4S2/c1-25-21(29)19-17-5-2-6-18(17)32-22(19)26-20(28)15-7-9-16(10-8-15)33(30,31)27(13-3-11-23)14-4-12-24/h7-10H,2-6,13-14H2,1H3,(H,25,29)(H,26,28)

InChI Key

DXCUCUDEOSMTHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05928973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.232

Distribution Coefficient, logD

-1.397

Water Solubility, LogSw

-2.42

Polar Surface Area

114.833

Acid Dissociation Constant (pKa)

4.77

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G839-0048 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G839-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G839-0048?
Check Price and Availability of G839-0048, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G839-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G839-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G839-0048
  • 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 G839-0048 available by request