G856-6945 Screening compound: 3-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]propanamide

G856-6945 Screening compound: 3-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]propanamide
G856-6945 Screening compound: 3-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6945
3-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]propanamide

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

G856-6945

Molecular Formula

C22H18ClN3O3S2 (C22 H18 ClN3 O3 S2)

Compound Name

3-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]propanamide

IUPAC name

3-(benzenesulfonyl)-N-(6-chloro-13-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]propanamide

SMILES

O=C(CCS(c1ccccc1)(=O)=O)N(Cc1cnccc1)c1nc(ccc(Cl)c2)c2s1

InChI

InChI=1S/C22H18ClN3O3S2/c23-17-8-9-19-20(13-17)30-22(25-19)26(15-16-5-4-11-24-14-16)21(27)10-12-31(28,29)18-6-2-1-3-7-18/h1-9,11,13-14H,10,12,15H2

InChI Key

ZUCXPPNURCTTGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06715262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

4.141

Water Solubility, LogSw

-4.58

Polar Surface Area

63.152

Acid Dissociation Constant (pKa)

20.70

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G856-6945 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS Targets (44014 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G856-6945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6945?
Check Price and Availability of G856-6945, 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 G856-6945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6945
  • 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 G856-6945 available by request