G856-6098 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-(thiophene-2-amido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

G856-6098 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-(thiophene-2-amido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate
G856-6098 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-(thiophene-2-amido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6098
ethyl 3-(1,3-benzothiazol-2-yl)-2-(thiophene-2-amido)-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

G856-6098

Molecular Formula

C22H19N3O3S3 (C22 H19 N3 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)Cc2c1c(-c1nc(cccc3)c3s1)c(NC(c1cccs1)=O)s2)=O

InChI

InChI=1S/C22H19N3O3S3/c1-2-28-22(27)25-10-9-13-17(12-25)31-21(24-19(26)16-8-5-11-29-16)18(13)20-23-14-6-3-4-7-15(14)30-20/h3-8,11H,2,9-10,12H2,1H3,(H,24,26)

InChI Key

KBUPCCDOQGTAAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04427549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.324

Distribution Coefficient, logD

5.309

Water Solubility, LogSw

-5.31

Polar Surface Area

56.225

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G856-6098 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Eccentric PPI Library (11937 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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G856-6098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6098?
Check Price and Availability of G856-6098, 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 G856-6098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6098
  • 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 G856-6098 available by request