C331-0973 Screening compound: 2-{[2-(4-ethylphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

C331-0973 Screening compound: 2-{[2-(4-ethylphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
C331-0973 Screening compound: 2-{[2-(4-ethylphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-0973
2-{[2-(4-ethylphenyl)-5-(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

C331-0973

Molecular Formula

C23H22N4OS2 (C23 H22 N4 OS2)

Compound Name

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

IUPAC name

2-{[2-(4-ethylphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

CCc(cc1)ccc1-c1nc(SCC(Nc2nccs2)=O)c(-c2ccc(C)cc2)[nH]1

InChI

InChI=1S/C23H22N4OS2/c1-3-16-6-10-18(11-7-16)21-26-20(17-8-4-15(2)5-9-17)22(27-21)30-14-19(28)25-23-24-12-13-29-23/h4-13H,3,14H2,1-2H3,(H,26,27)(H,24,25,28)

InChI Key

XRISIXGTAYVFRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.264

Distribution Coefficient, logD

6.263

Water Solubility, LogSw

-5.46

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

17.40

C331-0973 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C331-0973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-0973?
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What is the minimum amount of C331-0973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-0973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-0973
  • 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 C331-0973 available by request