C331-0251 Screening compound: 2-{[2-(4-ethylphenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

C331-0251 Screening compound: 2-{[2-(4-ethylphenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
C331-0251 Screening compound: 2-{[2-(4-ethylphenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-0251
2-{[2-(4-ethylphenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]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

C331-0251

Molecular Formula

C24H26FN3O2S (C24 H26 FN3 O2 S)

Compound Name

2-{[2-(4-ethylphenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-{[2-(4-ethylphenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

SMILES

CCc(cc1)ccc1-c1nc(SCC(NCC2OCCC2)=O)c(-c(cc2)ccc2F)[nH]1

InChI

InChI=1S/C24H26FN3O2S/c1-2-16-5-7-18(8-6-16)23-27-22(17-9-11-19(25)12-10-17)24(28-23)31-15-21(29)26-14-20-4-3-13-30-20/h5-12,20H,2-4,13-15H2,1H3,(H,26,29)(H,27,28)/t20-/m1/s1

InChI Key

GQJVMAALMMTUFF-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14749149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

4.839

Water Solubility, LogSw

-4.58

Polar Surface Area

53.041

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C331-0251 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 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 C331-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-0251?
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What is the minimum amount of C331-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-0251
  • 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 C331-0251 available by request