8006-8606 Screening compound: bis({[2-(4-methylphenyl)-2-oxoethyl]sulfanyl})-1,2-thiazole-4-carbonitrile

8006-8606 Screening compound: bis({[2-(4-methylphenyl)-2-oxoethyl]sulfanyl})-1,2-thiazole-4-carbonitrile
8006-8606 Screening compound: bis({[2-(4-methylphenyl)-2-oxoethyl]sulfanyl})-1,2-thiazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8606
bis({[2-(4-methylphenyl)-2-oxoethyl]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

8006-8606

Molecular Formula

C22H18N2O2S3 (C22 H18 N2 O2 S3)

Compound Name

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

IUPAC name

bis({[2-(4-methylphenyl)-2-oxoethyl]sulfanyl})-12-thiazole-4-carbonitrile

SMILES

Cc(cc1)ccc1C(CSc1nsc(SCC(c2ccc(C)cc2)=O)c1C#N)=O

InChI

InChI=1S/C22H18N2O2S3/c1-14-3-7-16(8-4-14)19(25)12-27-21-18(11-23)22(29-24-21)28-13-20(26)17-9-5-15(2)6-10-17/h3-10H,12-13H2,1-2H3

InChI Key

IZLDKTMEMDTULS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.483

Distribution Coefficient, logD

5.483

Water Solubility, LogSw

-5.50

Polar Surface Area

53.868

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

-5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 8006-8606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8606?
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What is the minimum amount of 8006-8606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8606
  • 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 8006-8606 available by request