8006-4479 Screening compound: bis({[(4-methoxyphenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile

8006-4479 Screening compound: bis({[(4-methoxyphenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile
8006-4479 Screening compound: bis({[(4-methoxyphenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4479
bis({[(4-methoxyphenyl)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

8006-4479

Molecular Formula

C20H18N2O2S3 (C20 H18 N2 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CSc2nsc(SCc(cc3)ccc3OC)c2C#N)cc1

InChI

InChI=1S/C20H18N2O2S3/c1-23-16-7-3-14(4-8-16)12-25-19-18(11-21)20(27-22-19)26-13-15-5-9-17(24-2)10-6-15/h3-10H,12-13H2,1-2H3

InChI Key

SDSBMKYDIOBXAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.995

Distribution Coefficient, logD

4.995

Water Solubility, LogSw

-4.81

Polar Surface Area

42.462

Acid Dissociation Constant (pKa)

26.05

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8006-4479 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 8006-4479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4479?
Check Price and Availability of 8006-4479, 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 8006-4479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4479
  • 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 8006-4479 available by request