C331-1753 Screening compound: 2-{[2-(3-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

C331-1753 Screening compound: 2-{[2-(3-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
C331-1753 Screening compound: 2-{[2-(3-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1753
2-{[2-(3-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(4-methoxyphenyl)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

C331-1753

Molecular Formula

C24H20FN3O2S (C24 H20 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(CSc1c(-c2ccccc2)[nH]c(-c2cc(F)ccc2)n1)=O

InChI

InChI=1S/C24H20FN3O2S/c1-30-20-12-10-19(11-13-20)26-21(29)15-31-24-22(16-6-3-2-4-7-16)27-23(28-24)17-8-5-9-18(25)14-17/h2-14H,15H2,1H3,(H,26,29)(H,27,28)

InChI Key

YDTWMZURNFOYMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

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

5.785

Distribution Coefficient, logD

5.785

Water Solubility, LogSw

-5.53

Polar Surface Area

50.608

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C331-1753 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 C331-1753 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C331-1753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1753
  • 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 C331-1753 available by request