G897-0179 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-methylbenzamide

G897-0179 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-methylbenzamide
G897-0179 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G897-0179
N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-methylbenzamide

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

G897-0179

Molecular Formula

C21H15ClN2OS (C21 H15 ClN2 OS)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-methylbenzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)-2-chlorophenyl]-3-methylbenzamide

SMILES

Cc1cccc(C(Nc(ccc(-c2nc(cccc3)c3s2)c2)c2Cl)=O)c1

InChI

InChI=1S/C21H15ClN2OS/c1-13-5-4-6-14(11-13)20(25)23-17-10-9-15(12-16(17)22)21-24-18-7-2-3-8-19(18)26-21/h2-12H,1H3,(H,23,25)

InChI Key

DGQDOEGWLUSPAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15074270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.951

Distribution Coefficient, logD

5.944

Water Solubility, LogSw

-6.13

Polar Surface Area

32.081

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

G897-0179 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G897-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G897-0179?
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What is the minimum amount of G897-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G897-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G897-0179
  • 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 G897-0179 available by request