C137-0541 Screening compound: N~1~-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(2-thienylsulfonyl)amino]acetamide

C137-0541 Screening compound: N~1~-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(2-thienylsulfonyl)amino]acetamide
C137-0541 Screening compound: N~1~-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(2-thienylsulfonyl)amino]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-0541
N~1~-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(2-thienylsulfonyl)amino]acetamide

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

C137-0541

Molecular Formula

C14H13N3O4S3 (C14 H13 N3 O4 S3)

Compound Name

N~1~-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(2-thienylsulfonyl)amino]acetamide

IUPAC name

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

SMILES

COc(cc1)cc2c1nc(NC(CNS(c1cccs1)(=O)=O)=O)s2

InChI

InChI=1S/C14H13N3O4S3/c1-21-9-4-5-10-11(7-9)23-14(16-10)17-12(18)8-15-24(19,20)13-3-2-6-22-13/h2-7,15H,8H2,1H3,(H,16,17,18)

InChI Key

OKXRQICUIJPPPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.737

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-3.46

Polar Surface Area

83.470

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

C137-0541 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C137-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-0541?
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What is the minimum amount of C137-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-0541
  • 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 C137-0541 available by request