C331-1725 Screening compound: 2-{[5-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-phenylacetamide

C331-1725 Screening compound: 2-{[5-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-phenylacetamide
C331-1725 Screening compound: 2-{[5-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1725
2-{[5-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-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

C331-1725

Molecular Formula

C26H24FN3O4S (C26 H24 FN3 O4 S)

Compound Name

2-{[5-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[5-(4-fluorophenyl)-2-(345-trimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-phenylacetamide

SMILES

COc1cc(-c2nc(SCC(Nc3ccccc3)=O)c(-c(cc3)ccc3F)[nH]2)cc(OC)c1OC

InChI

InChI=1S/C26H24FN3O4S/c1-32-20-13-17(14-21(33-2)24(20)34-3)25-29-23(16-9-11-18(27)12-10-16)26(30-25)35-15-22(31)28-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,28,31)(H,29,30)

InChI Key

SFVMNGKVSOLQIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.167

Distribution Coefficient, logD

5.159

Water Solubility, LogSw

-5.02

Polar Surface Area

66.042

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C331-1725 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C331-1725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-1725?
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What is the minimum amount of C331-1725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1725
  • 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 C331-1725 available by request