C331-0971 Screening compound: 2-{[2,5-bis(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

C331-0971 Screening compound: 2-{[2,5-bis(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
C331-0971 Screening compound: 2-{[2,5-bis(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-0971
2-{[2,5-bis(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

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

C331-0971

Molecular Formula

C22H20N4OS2 (C22 H20 N4 OS2)

Compound Name

2-{[2,5-bis(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-{[25-bis(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

Cc(cc1)ccc1-c([nH]c(-c1ccc(C)cc1)n1)c1SCC(Nc1nccs1)=O

InChI

InChI=1S/C22H20N4OS2/c1-14-3-7-16(8-4-14)19-21(29-13-18(27)24-22-23-11-12-28-22)26-20(25-19)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3,(H,25,26)(H,23,24,27)

InChI Key

BKXQWIVMODVEAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.757

Distribution Coefficient, logD

5.756

Water Solubility, LogSw

-5.45

Polar Surface Area

53.543

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C331-0971 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C331-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-0971?
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What is the minimum amount of C331-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-0971
  • 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 C331-0971 available by request