8006-4475 Screening compound: 5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-{[(4-methoxyphenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile

8006-4475 Screening compound: 5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-{[(4-methoxyphenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile
8006-4475 Screening compound: 5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-{[(4-methoxyphenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4475
5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-{[(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

8006-4475

Molecular Formula

C20H18N2O2S3 (C20 H18 N2 O2 S3)

Compound Name

5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-{[(4-methoxyphenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile

IUPAC name

5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-{[(4-methoxyphenyl)methyl]sulfanyl}-12-thiazole-4-carbonitrile

SMILES

COc1ccc(CSc2nsc(SCc3cc(OC)ccc3)c2C#N)cc1

InChI

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

InChI Key

AKDMCEDCRVFZHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825143

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

5.346

Distribution Coefficient, logD

5.346

Water Solubility, LogSw

-5.57

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

8006-4475 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8006-4475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4475?
Check Price and Availability of 8006-4475, 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 8006-4475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4475
  • 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 8006-4475 available by request