G786-2319 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3-(trifluoromethyl)benzamide

G786-2319 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3-(trifluoromethyl)benzamide
G786-2319 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-2319
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3-(trifluoromethyl)benzamide

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

G786-2319

Molecular Formula

C23H18F3N3OS2 (C23 H18 F3 N3 OS2)

Compound Name

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

IUPAC name

N-[3-(13-benzothiazol-2-yl)-6-methyl-4H5H6H7H-thieno[23-c]pyridin-2-yl]-3-(trifluoromethyl)benzamide

SMILES

CN(CC1)Cc2c1c(-c1nc(cccc3)c3s1)c(NC(c1cc(C(F)(F)F)ccc1)=O)s2

InChI

InChI=1S/C23H18F3N3OS2/c1-29-10-9-15-18(12-29)32-22(19(15)21-27-16-7-2-3-8-17(16)31-21)28-20(30)13-5-4-6-14(11-13)23(24,25)26/h2-8,11H,9-10,12H2,1H3,(H,28,30)

InChI Key

SIHYXRHCNSJVGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11984319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.451

Distribution Coefficient, logD

5.028

Water Solubility, LogSw

-5.61

Polar Surface Area

35.903

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G786-2319 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G786-2319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-2319?
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What is the minimum amount of G786-2319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-2319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-2319
  • 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 G786-2319 available by request