C331-0557 Screening compound: N-[(furan-2-yl)methyl]-2-{[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide

C331-0557 Screening compound: N-[(furan-2-yl)methyl]-2-{[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide
C331-0557 Screening compound: N-[(furan-2-yl)methyl]-2-{[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-0557
N-[(furan-2-yl)methyl]-2-{[2-(3-methoxyphenyl)-5-(4-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

C331-0557

Molecular Formula

C24H23N3O4S (C24 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c([nH]c(-c1cc(OC)ccc1)n1)c1SCC(NCc1ccco1)=O

InChI

InChI=1S/C24H23N3O4S/c1-29-18-10-8-16(9-11-18)22-24(32-15-21(28)25-14-20-7-4-12-31-20)27-23(26-22)17-5-3-6-19(13-17)30-2/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27)

InChI Key

NYLLJJJIWQOELJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

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

5.262

Distribution Coefficient, logD

5.252

Water Solubility, LogSw

-5.14

Polar Surface Area

67.223

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C331-0557 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C331-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-0557?
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What is the minimum amount of C331-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-0557
  • 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 C331-0557 available by request