C331-1531 Screening compound: 2-{[2-(4-ethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide

C331-1531 Screening compound: 2-{[2-(4-ethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
C331-1531 Screening compound: 2-{[2-(4-ethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1531
2-{[2-(4-ethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)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

C331-1531

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

2-{[2-(4-ethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide

IUPAC name

2-{[2-(4-ethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}-N-(3-methoxypropyl)acetamide

SMILES

CCOc(cc1)ccc1-c1nc(SCC(NCCCOC)=O)c(-c2ccccc2)[nH]1

InChI

InChI=1S/C23H27N3O3S/c1-3-29-19-12-10-18(11-13-19)22-25-21(17-8-5-4-6-9-17)23(26-22)30-16-20(27)24-14-7-15-28-2/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,24,27)(H,25,26)

InChI Key

LAFQDVHXHKSMJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.223

Distribution Coefficient, logD

4.222

Water Solubility, LogSw

-4.04

Polar Surface Area

59.966

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C331-1531 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 C331-1531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-1531?
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What is the minimum amount of C331-1531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1531
  • 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 C331-1531 available by request