C331-1122 Screening compound: 2-{[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

C331-1122 Screening compound: 2-{[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
C331-1122 Screening compound: 2-{[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1122
2-{[5-(4-methoxyphenyl)-2-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

C331-1122

Molecular Formula

C21H18N4O2S2 (C21 H18 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c([nH]c(-c1ccccc1)n1)c1SCC(Nc1nccs1)=O

InChI

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

InChI Key

CEZDRNXMPNQOFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749264

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)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C331-1122 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C331-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-1122?
Check Price and Availability of C331-1122, 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 C331-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1122
  • 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 C331-1122 available by request