G786-2381 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3-[(4-fluorophenyl)sulfanyl]propanamide

G786-2381 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3-[(4-fluorophenyl)sulfanyl]propanamide
G786-2381 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3-[(4-fluorophenyl)sulfanyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-2381
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3-[(4-fluorophenyl)sulfanyl]propanamide

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

G786-2381

Molecular Formula

C24H22FN3OS3 (C24 H22 FN3 OS3)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3-[(4-fluorophenyl)sulfanyl]propanamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)-6-methyl-4H5H6H7H-thieno[23-c]pyridin-2-yl]-3-[(4-fluorophenyl)sulfanyl]propanamide

SMILES

CN(CC1)Cc2c1c(-c1nc(cccc3)c3s1)c(NC(CCSc(cc1)ccc1F)=O)s2

InChI

InChI=1S/C24H22FN3OS3/c1-28-12-10-17-20(14-28)32-24(22(17)23-26-18-4-2-3-5-19(18)31-23)27-21(29)11-13-30-16-8-6-15(25)7-9-16/h2-9H,10-14H2,1H3,(H,27,29)

InChI Key

ZOWDLWLSIASHJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11990390

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

483.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.391

Distribution Coefficient, logD

5.204

Water Solubility, LogSw

-5.42

Polar Surface Area

35.690

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G786-2381 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G786-2381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-2381?
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What is the minimum amount of G786-2381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-2381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-2381
  • 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 G786-2381 available by request