G786-2365 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-(2-methoxybenzamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

G786-2365 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-(2-methoxybenzamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate
G786-2365 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-(2-methoxybenzamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-2365
ethyl 3-(1,3-benzothiazol-2-yl)-2-(2-methoxybenzamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

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

G786-2365

Molecular Formula

C25H23N3O4S2 (C25 H23 N3 O4 S2)

Compound Name

ethyl 3-(1,3-benzothiazol-2-yl)-2-(2-methoxybenzamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

IUPAC name

ethyl 3-(13-benzothiazol-2-yl)-2-(2-methoxybenzamido)-4H5H6H7H-thieno[23-c]pyridine-6-carboxylate

SMILES

CCOC(N(CC1)Cc2c1c(-c1nc(cccc3)c3s1)c(NC(c(cccc1)c1OC)=O)s2)=O

InChI

InChI=1S/C25H23N3O4S2/c1-3-32-25(30)28-13-12-16-20(14-28)34-24(27-22(29)15-8-4-6-10-18(15)31-2)21(16)23-26-17-9-5-7-11-19(17)33-23/h4-11H,3,12-14H2,1-2H3,(H,27,29)

InChI Key

NJXYOBIGOFUEGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04427580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.236

Distribution Coefficient, logD

4.437

Water Solubility, LogSw

-5.12

Polar Surface Area

62.837

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

G786-2365 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G786-2365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-2365?
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What is the minimum amount of G786-2365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-2365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-2365
  • 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 G786-2365 available by request