C331-0823 Screening compound: N-cyclopentyl-2-{[5-(4-fluorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide

C331-0823 Screening compound: N-cyclopentyl-2-{[5-(4-fluorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide
C331-0823 Screening compound: N-cyclopentyl-2-{[5-(4-fluorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-0823
N-cyclopentyl-2-{[5-(4-fluorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}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

C331-0823

Molecular Formula

C23H24FN3O2S (C23 H24 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(-c2nc(SCC(NC3CCCC3)=O)c(-c(cc3)ccc3F)[nH]2)c1

InChI

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

InChI Key

BGUILJZDEPOPLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749223

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

5.317

Distribution Coefficient, logD

5.308

Water Solubility, LogSw

-5.32

Polar Surface Area

52.022

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C331-0823 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C331-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-0823?
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What is the minimum amount of C331-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-0823
  • 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 C331-0823 available by request