G786-2362 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-pentanamido-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

G786-2362 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-pentanamido-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate
G786-2362 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-pentanamido-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-2362
ethyl 3-(1,3-benzothiazol-2-yl)-2-pentanamido-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

G786-2362

Molecular Formula

C22H25N3O3S2 (C22 H25 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(Nc(sc(C1)c2CCN1C(OCC)=O)c2-c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C22H25N3O3S2/c1-3-5-10-18(26)24-21-19(20-23-15-8-6-7-9-16(15)29-20)14-11-12-25(13-17(14)30-21)22(27)28-4-2/h6-9H,3-5,10-13H2,1-2H3,(H,24,26)

InChI Key

MMHFVNQYDZKPFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04427576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.073

Distribution Coefficient, logD

5.067

Water Solubility, LogSw

-4.72

Polar Surface Area

55.265

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G786-2362 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Eccentric PPI Library (11937 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with G786-2362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-2362?
Check Price and Availability of G786-2362, 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 G786-2362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-2362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-2362
  • 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 G786-2362 available by request