C331-0863 Screening compound: 2-{[5-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-cyclopentylacetamide

C331-0863 Screening compound: 2-{[5-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-cyclopentylacetamide
C331-0863 Screening compound: 2-{[5-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-0863
2-{[5-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-cyclopentylacetamide

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

C331-0863

Molecular Formula

C25H28ClN3O4S (C25 H28 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(-c2nc(SCC(NC3CCCC3)=O)c(-c(cc3)ccc3Cl)[nH]2)cc(OC)c1OC

InChI

InChI=1S/C25H28ClN3O4S/c1-31-19-12-16(13-20(32-2)23(19)33-3)24-28-22(15-8-10-17(26)11-9-15)25(29-24)34-14-21(30)27-18-6-4-5-7-18/h8-13,18H,4-7,14H2,1-3H3,(H,27,30)(H,28,29)

InChI Key

ICCQBQINYHJDFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.03

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

5.365

Distribution Coefficient, logD

5.201

Water Solubility, LogSw

-6.00

Polar Surface Area

67.456

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C331-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-0863?
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What is the minimum amount of C331-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-0863
  • 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 C331-0863 available by request