7954-4488 Screening compound: bis({[(3-methylphenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile

7954-4488 Screening compound: bis({[(3-methylphenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile
7954-4488 Screening compound: bis({[(3-methylphenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-4488
bis({[(3-methylphenyl)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

7954-4488

Molecular Formula

C20H18N2S3 (C20 H18 N2 S3)

Compound Name

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

IUPAC name

bis({[(3-methylphenyl)methyl]sulfanyl})-12-thiazole-4-carbonitrile

SMILES

Cc1cccc(CSc2nsc(SCc3cc(C)ccc3)c2C#N)c1

InChI

InChI=1S/C20H18N2S3/c1-14-5-3-7-16(9-14)12-23-19-18(11-21)20(25-22-19)24-13-17-8-4-6-15(2)10-17/h3-10H,12-13H2,1-2H3

InChI Key

QRWWDVIXFUUXCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.57

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

6.879

Distribution Coefficient, logD

6.879

Water Solubility, LogSw

-5.92

Polar Surface Area

27.374

Acid Dissociation Constant (pKa)

26.05

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 7954-4488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-4488?
Check Price and Availability of 7954-4488, 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 7954-4488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-4488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-4488
  • 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 7954-4488 available by request