8006-4474 Screening compound: bis({[(4-chlorophenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile

8006-4474 Screening compound: bis({[(4-chlorophenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile
8006-4474 Screening compound: bis({[(4-chlorophenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4474
bis({[(4-chlorophenyl)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

8006-4474

Molecular Formula

C18H12Cl2N2S3 (C18 H12 Cl2 N2 S3)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(SCc(cc2)ccc2Cl)snc1SCc(cc1)ccc1Cl

InChI

InChI=1S/C18H12Cl2N2S3/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

LAHIWXAUKRTKCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.41

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

6.220

Distribution Coefficient, logD

6.220

Water Solubility, LogSw

-6.75

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

8006-4474 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-4474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4474?
Check Price and Availability of 8006-4474, 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 8006-4474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4474
  • 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 8006-4474 available by request