C166-0546 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)benzamide

C166-0546 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)benzamide
C166-0546 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C166-0546
N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)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

C166-0546

Molecular Formula

C19H15N3O3S3 (C19 H15 N3 O3 S3)

Compound Name

N-(6-methyl-1,3-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)benzamide

IUPAC name

N-(6-methyl-13-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)benzamide

SMILES

Cc(cc1)cc2c1nc(NC(c(cc1)ccc1NS(c1cccs1)(=O)=O)=O)s2

InChI

InChI=1S/C19H15N3O3S3/c1-12-4-9-15-16(11-12)27-19(20-15)21-18(23)13-5-7-14(8-6-13)22-28(24,25)17-3-2-10-26-17/h2-11,22H,1H3,(H,20,21,23)

InChI Key

PGGBHCWMRIVRLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.818

Distribution Coefficient, logD

4.527

Water Solubility, LogSw

-4.59

Polar Surface Area

74.759

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

C166-0546 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C166-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C166-0546?
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What is the minimum amount of C166-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C166-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C166-0546
  • 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 C166-0546 available by request