2680-0354 Screening compound: bis({[(4-bromophenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile

2680-0354 Screening compound: bis({[(4-bromophenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile
2680-0354 Screening compound: bis({[(4-bromophenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2680-0354
bis({[(4-bromophenyl)methyl]sulfanyl})-1,2-thiazole-4-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

2680-0354

Molecular Formula

C18H12Br2N2S3 (C18 H12 Br2 N2 S3)

Compound Name

bis({[(4-bromophenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile

IUPAC name

bis({[(4-bromophenyl)methyl]sulfanyl})-12-thiazole-4-carbonitrile

SMILES

N#Cc1c(SCc(cc2)ccc2Br)snc1SCc(cc1)ccc1Br

InChI

InChI=1S/C18H12Br2N2S3/c19-14-5-1-12(2-6-14)10-23-17-16(9-21)18(25-22-17)24-11-13-3-7-15(20)8-4-13/h1-8H,10-11H2

InChI Key

ISPMELLTMVKJRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01579657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.699

Distribution Coefficient, logD

6.699

Water Solubility, LogSw

-6.35

Polar Surface Area

27.374

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2680-0354 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2680-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2680-0354?
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What is the minimum amount of 2680-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2680-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2680-0354
  • 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 2680-0354 available by request