C331-1754 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

C331-1754 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
C331-1754 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1754
2-{[2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-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

C331-1754

Molecular Formula

C27H27N3O4S (C27 H27 N3 O4 S)

Compound Name

2-{[2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

IUPAC name

2-{[2-(34-dimethoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

SMILES

Cc(cc1)ccc1-c([nH]c(-c(cc1)cc(OC)c1OC)n1)c1SCC(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C27H27N3O4S/c1-17-5-7-18(8-6-17)25-27(35-16-24(31)28-20-10-12-21(32-2)13-11-20)30-26(29-25)19-9-14-22(33-3)23(15-19)34-4/h5-15H,16H2,1-4H3,(H,28,31)(H,29,30)

InChI Key

RYDOQLLESXOCQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.6

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

5.815

Distribution Coefficient, logD

5.815

Water Solubility, LogSw

-5.46

Polar Surface Area

65.869

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C331-1754 in Drug Discovery

Included in Screening Libraries

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 C331-1754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-1754?
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What is the minimum amount of C331-1754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1754
  • 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 C331-1754 available by request