G856-9730 Screening compound: 5-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide

G856-9730 Screening compound: 5-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide
G856-9730 Screening compound: 5-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9730
5-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide

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

G856-9730

Molecular Formula

C20H16ClN3OS2 (C20 H16 ClN3 OS2)

Compound Name

5-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide

IUPAC name

5-chloro-N-(56-dimethyl-13-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide

SMILES

Cc(c(C)c1)cc2c1sc(N(Cc1cnccc1)C(c(s1)ccc1Cl)=O)n2

InChI

InChI=1S/C20H16ClN3OS2/c1-12-8-15-17(9-13(12)2)27-20(23-15)24(11-14-4-3-7-22-10-14)19(25)16-5-6-18(21)26-16/h3-10H,11H2,1-2H3

InChI Key

XELNPWPYXVMAHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07648821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.925

Distribution Coefficient, logD

5.925

Water Solubility, LogSw

-6.02

Polar Surface Area

35.661

Acid Dissociation Constant (pKa)

19.57

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G856-9730 in Drug Discovery

Included in Screening Libraries

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G856-9730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9730?
Check Price and Availability of G856-9730, 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 G856-9730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9730
  • 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 G856-9730 available by request