C331-0406 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

C331-0406 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
C331-0406 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-0406
2-{[2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-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

C331-0406

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c([nH]c(-c(cc1)cc(OC)c1OC)n1)c1SCC(NCc1ccco1)=O

InChI

InChI=1S/C25H25N3O4S/c1-16-6-8-17(9-7-16)23-25(33-15-22(29)26-14-19-5-4-12-32-19)28-24(27-23)18-10-11-20(30-2)21(13-18)31-3/h4-13H,14-15H2,1-3H3,(H,26,29)(H,27,28)

InChI Key

HGTDITBFSKNXCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

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

5.265

Distribution Coefficient, logD

5.259

Water Solubility, LogSw

-5.09

Polar Surface Area

67.396

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C331-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-0406?
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What is the minimum amount of C331-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-0406
  • 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 C331-0406 available by request