G786-2356 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-(4-cyanobenzamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

G786-2356 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-(4-cyanobenzamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate
G786-2356 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-(4-cyanobenzamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-2356
ethyl 3-(1,3-benzothiazol-2-yl)-2-(4-cyanobenzamido)-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

G786-2356

Molecular Formula

C25H20N4O3S2 (C25 H20 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)Cc2c1c(-c1nc(cccc3)c3s1)c(NC(c(cc1)ccc1C#N)=O)s2)=O

InChI

InChI=1S/C25H20N4O3S2/c1-2-32-25(31)29-12-11-17-20(14-29)34-24(28-22(30)16-9-7-15(13-26)8-10-16)21(17)23-27-18-5-3-4-6-19(18)33-23/h3-10H,2,11-12,14H2,1H3,(H,28,30)

InChI Key

YCOZMHWFVMUCQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04427551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

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

5.066

Distribution Coefficient, logD

4.741

Water Solubility, LogSw

-4.74

Polar Surface Area

72.263

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G786-2356 in Drug Discovery

Included in Screening Libraries

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 G786-2356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-2356?
Check Price and Availability of G786-2356, 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 G786-2356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-2356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-2356
  • 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 G786-2356 available by request