G613-0031 Screening compound: 3-(benzenesulfonyl)-N2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophene-2,4-diamine

G613-0031 Screening compound: 3-(benzenesulfonyl)-N2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophene-2,4-diamine
G613-0031 Screening compound: 3-(benzenesulfonyl)-N2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophene-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G613-0031
3-(benzenesulfonyl)-N2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophene-2,4-diamine

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

G613-0031

Molecular Formula

C24H19ClN2O4S2 (C24 H19 ClN2 O4 S2)

Compound Name

3-(benzenesulfonyl)-N2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophene-2,4-diamine

IUPAC name

3-(benzenesulfonyl)-N2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophene-24-diamine

SMILES

COc(cc1)ccc1C(c(sc(Nc(cc1)ccc1Cl)c1S(c2ccccc2)(=O)=O)c1N)=O

InChI

InChI=1S/C24H19ClN2O4S2/c1-31-18-13-7-15(8-14-18)21(28)22-20(26)23(33(29,30)19-5-3-2-4-6-19)24(32-22)27-17-11-9-16(25)10-12-17/h2-14,27H,26H2,1H3

InChI Key

NJBGRSCHJZNEMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.502

Distribution Coefficient, logD

5.502

Water Solubility, LogSw

-6.03

Polar Surface Area

78.843

Acid Dissociation Constant (pKa)

16.76

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

G613-0031 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G613-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G613-0031?
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What is the minimum amount of G613-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G613-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G613-0031
  • 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 G613-0031 available by request