C166-0381 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)benzamide

C166-0381 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)benzamide
C166-0381 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C166-0381
N-(6-methoxy-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

C166-0381

Molecular Formula

C19H15N3O4S3 (C19 H15 N3 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H15N3O4S3/c1-26-14-8-9-15-16(11-14)28-19(20-15)21-18(23)12-4-6-13(7-5-12)22-29(24,25)17-3-2-10-27-17/h2-11,22H,1H3,(H,20,21,23)

InChI Key

RDSJNGYKDCCYKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12332028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.486

Distribution Coefficient, logD

4.195

Water Solubility, LogSw

-4.39

Polar Surface Area

82.303

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

C166-0381 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 C166-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C166-0381?
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What is the minimum amount of C166-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C166-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C166-0381
  • 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 C166-0381 available by request