G856-6139 Screening compound: N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-2,6-difluorobenzamide

G856-6139 Screening compound: N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-2,6-difluorobenzamide
G856-6139 Screening compound: N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6139
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-2,6-difluorobenzamide

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

G856-6139

Molecular Formula

C23H17F2N3O2S2 (C23 H17 F2 N3 O2 S2)

Compound Name

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

IUPAC name

N-[6-acetyl-3-(13-benzothiazol-2-yl)-4H5H6H7H-thieno[23-c]pyridin-2-yl]-26-difluorobenzamide

SMILES

CC(N(CC1)Cc2c1c(-c1nc(cccc3)c3s1)c(NC(c(c(F)ccc1)c1F)=O)s2)=O

InChI

InChI=1S/C23H17F2N3O2S2/c1-12(29)28-10-9-13-18(11-28)32-23(27-21(30)20-14(24)5-4-6-15(20)25)19(13)22-26-16-7-2-3-8-17(16)31-22/h2-8H,9-11H2,1H3,(H,27,30)

InChI Key

DRPWULMRFCXJHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04428085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.777

Distribution Coefficient, logD

3.436

Water Solubility, LogSw

-4.65

Polar Surface Area

49.622

Acid Dissociation Constant (pKa)

6.08

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G856-6139 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G856-6139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6139?
Check Price and Availability of G856-6139, 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 G856-6139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6139
  • 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 G856-6139 available by request