6743-0010 Screening compound: 2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile

6743-0010 Screening compound: 2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile
6743-0010 Screening compound: 2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6743-0010
2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile

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

6743-0010

Molecular Formula

C27H18BrN3O2S3 (C27 H18 BrN3 O2 S3)

Compound Name

2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile

IUPAC name

2-{[2-(13-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile

SMILES

N#Cc(c(-c1ccccc1)cc(-c(cc1)ccc1Br)n1)c1SCCS(c1nc(cccc2)c2s1)(=O)=O

InChI

InChI=1S/C27H18BrN3O2S3/c28-20-12-10-19(11-13-20)24-16-21(18-6-2-1-3-7-18)22(17-29)26(30-24)34-14-15-36(32,33)27-31-23-8-4-5-9-25(23)35-27/h1-13,16H,14-15H2

InChI Key

LNYVGCQEQWBNGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02973002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.900

Distribution Coefficient, logD

7.900

Water Solubility, LogSw

-6.41

Polar Surface Area

63.759

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

6743-0010 in Drug Discovery

Included in Screening Libraries

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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6743-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6743-0010?
Check Price and Availability of 6743-0010, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6743-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6743-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6743-0010
  • 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 6743-0010 available by request