C331-0531 Screening compound: 2-{[2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

C331-0531 Screening compound: 2-{[2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
C331-0531 Screening compound: 2-{[2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-0531
2-{[2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(furan-2-yl)methyl]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

C331-0531

Molecular Formula

C24H22BrN3O4S (C24 H22 BrN3 O4 S)

Compound Name

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

IUPAC name

2-{[2-(4-bromophenyl)-5-(34-dimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

SMILES

COc(ccc(-c([nH]c(-c(cc1)ccc1Br)n1)c1SCC(NCc1ccco1)=O)c1)c1OC

InChI

InChI=1S/C24H22BrN3O4S/c1-30-19-10-7-16(12-20(19)31-2)22-24(28-23(27-22)15-5-8-17(25)9-6-15)33-14-21(29)26-13-18-4-3-11-32-18/h3-12H,13-14H2,1-2H3,(H,26,29)(H,27,28)

InChI Key

AAXNGTJCCFVFBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.43

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

5.608

Distribution Coefficient, logD

5.608

Water Solubility, LogSw

-5.45

Polar Surface Area

67.396

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C331-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-0531?
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What is the minimum amount of C331-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-0531
  • 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 C331-0531 available by request