C331-1895 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide

C331-1895 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide
C331-1895 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1895
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-ethoxyphenyl)-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

C331-1895

Molecular Formula

C27H25N3O5S (C27 H25 N3 O5 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)ccc1-c1nc(SCC(Nc(cc2)cc3c2OCO3)=O)c(-c(cc2)ccc2OC)[nH]1

InChI

InChI=1S/C27H25N3O5S/c1-3-33-21-11-6-18(7-12-21)26-29-25(17-4-9-20(32-2)10-5-17)27(30-26)36-15-24(31)28-19-8-13-22-23(14-19)35-16-34-22/h4-14H,3,15-16H2,1-2H3,(H,28,31)(H,29,30)

InChI Key

KNIDOIKNTPSOJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.928

Distribution Coefficient, logD

5.928

Water Solubility, LogSw

-5.49

Polar Surface Area

74.847

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C331-1895 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with C331-1895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-1895?
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What is the minimum amount of C331-1895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1895
  • 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 C331-1895 available by request