C331-1785 Screening compound: N-(3,4-dimethoxyphenyl)-2-{[2-(3-methylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}acetamide

C331-1785 Screening compound: N-(3,4-dimethoxyphenyl)-2-{[2-(3-methylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}acetamide
C331-1785 Screening compound: N-(3,4-dimethoxyphenyl)-2-{[2-(3-methylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1785
N-(3,4-dimethoxyphenyl)-2-{[2-(3-methylphenyl)-5-phenyl-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

C331-1785

Molecular Formula

C26H25N3O3S (C26 H25 N3 O3 S)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-2-{[2-(3-methylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}acetamide

SMILES

Cc1cccc(-c2nc(SCC(Nc(cc3)cc(OC)c3OC)=O)c(-c3ccccc3)[nH]2)c1

InChI

InChI=1S/C26H25N3O3S/c1-17-8-7-11-19(14-17)25-28-24(18-9-5-4-6-10-18)26(29-25)33-16-23(30)27-20-12-13-21(31-2)22(15-20)32-3/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29)

InChI Key

IMGZMRJJGDNWCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.586

Distribution Coefficient, logD

5.586

Water Solubility, LogSw

-5.44

Polar Surface Area

58.325

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C331-1785 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C331-1785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-1785?
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What is the minimum amount of C331-1785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1785
  • 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 C331-1785 available by request