6743-0014 Screening compound: 6-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-5-cyano-2-methyl-N,4-diphenylpyridine-3-carboxamide

6743-0014 Screening compound: 6-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-5-cyano-2-methyl-N,4-diphenylpyridine-3-carboxamide
6743-0014 Screening compound: 6-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-5-cyano-2-methyl-N,4-diphenylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6743-0014
6-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-5-cyano-2-methyl-N,4-diphenylpyridine-3-carboxamide

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

6743-0014

Molecular Formula

C29H22N4O3S3 (C29 H22 N4 O3 S3)

Compound Name

6-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-5-cyano-2-methyl-N,4-diphenylpyridine-3-carboxamide

IUPAC name

6-{[2-(13-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-5-cyano-2-methyl-N4-diphenylpyridine-3-carboxamide

SMILES

Cc(nc1SCCS(c2nc(cccc3)c3s2)(=O)=O)c(C(Nc2ccccc2)=O)c(-c2ccccc2)c1C#N

InChI

InChI=1S/C29H22N4O3S3/c1-19-25(27(34)32-21-12-6-3-7-13-21)26(20-10-4-2-5-11-20)22(18-30)28(31-19)37-16-17-39(35,36)29-33-23-14-8-9-15-24(23)38-29/h2-15H,16-17H2,1H3,(H,32,34)

InChI Key

KDELPGDFMYBEGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.071

Distribution Coefficient, logD

6.071

Water Solubility, LogSw

-5.65

Polar Surface Area

87.698

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

6743-0014 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6743-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6743-0014?
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What is the minimum amount of 6743-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6743-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6743-0014
  • 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 6743-0014 available by request