C331-0955 Screening compound: 2-{[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

C331-0955 Screening compound: 2-{[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
C331-0955 Screening compound: 2-{[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-0955
2-{[2-(4-methoxyphenyl)-5-phenyl-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

C331-0955

Molecular Formula

C21H18N4O2S2 (C21 H18 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nc(SCC(Nc2nccs2)=O)c(-c2ccccc2)[nH]1

InChI

InChI=1S/C21H18N4O2S2/c1-27-16-9-7-15(8-10-16)19-24-18(14-5-3-2-4-6-14)20(25-19)29-13-17(26)23-21-22-11-12-28-21/h2-12H,13H2,1H3,(H,24,25)(H,22,23,26)

InChI Key

TVWBXRWLCQABNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

4.787

Water Solubility, LogSw

-4.60

Polar Surface Area

61.087

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C331-0955 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C331-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-0955?
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What is the minimum amount of C331-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-0955
  • 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 C331-0955 available by request