G856-6952 Screening compound: 4-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]benzamide

G856-6952 Screening compound: 4-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]benzamide
G856-6952 Screening compound: 4-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6952
4-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]benzamide

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

G856-6952

Molecular Formula

C23H18N4OS (C23 H18 N4 OS)

Compound Name

4-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]benzamide

IUPAC name

4-cyano-N-(6-ethyl-13-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]benzamide

SMILES

CCc(cc1)cc2c1nc(N(Cc1cnccc1)C(c(cc1)ccc1C#N)=O)s2

InChI

InChI=1S/C23H18N4OS/c1-2-16-7-10-20-21(12-16)29-23(26-20)27(15-18-4-3-11-25-14-18)22(28)19-8-5-17(13-24)6-9-19/h3-12,14H,2,15H2,1H3

InChI Key

SCUDIPJGDUMXDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06715421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.737

Distribution Coefficient, logD

4.737

Water Solubility, LogSw

-4.31

Polar Surface Area

51.699

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G856-6952 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G856-6952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6952?
Check Price and Availability of G856-6952, 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 G856-6952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6952
  • 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 G856-6952 available by request