C331-1717 Screening compound: 2-{[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-phenylacetamide

C331-1717 Screening compound: 2-{[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-phenylacetamide
C331-1717 Screening compound: 2-{[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1717
2-{[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-phenylacetamide

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

C331-1717

Molecular Formula

C23H18FN3OS (C23 H18 FN3 OS)

Compound Name

2-{[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-phenylacetamide

SMILES

O=C(CSc1c(-c2ccccc2)[nH]c(-c(cc2)ccc2F)n1)Nc1ccccc1

InChI

InChI=1S/C23H18FN3OS/c24-18-13-11-17(12-14-18)22-26-21(16-7-3-1-4-8-16)23(27-22)29-15-20(28)25-19-9-5-2-6-10-19/h1-14H,15H2,(H,25,28)(H,26,27)

InChI Key

XQQMUPLBIHVIBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.476

Distribution Coefficient, logD

5.476

Water Solubility, LogSw

-5.88

Polar Surface Area

43.065

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

C331-1717 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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

References: we are preparing a list of scientific research reports with C331-1717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-1717?
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What is the minimum amount of C331-1717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1717
  • 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 C331-1717 available by request