C331-0223 Screening compound: 2-{[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

C331-0223 Screening compound: 2-{[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
C331-0223 Screening compound: 2-{[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-0223
2-{[2-(4-fluorophenyl)-5-(4-methylphenyl)-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

C331-0223

Molecular Formula

C23H24FN3O2S (C23 H24 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c([nH]c(-c(cc1)ccc1F)n1)c1SCC(NCC1OCCC1)=O

InChI

InChI=1S/C23H24FN3O2S/c1-15-4-6-16(7-5-15)21-23(27-22(26-21)17-8-10-18(24)11-9-17)30-14-20(28)25-13-19-3-2-12-29-19/h4-11,19H,2-3,12-14H2,1H3,(H,25,28)(H,26,27)/t19-/m1/s1

InChI Key

BNYFSTWCAINBDE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14749145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

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

4.333

Distribution Coefficient, logD

4.333

Water Solubility, LogSw

-4.21

Polar Surface Area

53.041

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

C331-0223 in Drug Discovery

Included in Screening Libraries

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

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C331-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-0223?
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What is the minimum amount of C331-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-0223
  • 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 C331-0223 available by request