C331-1885 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide

C331-1885 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide
C331-1885 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1885
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-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

C331-1885

Molecular Formula

C26H22ClN3O5S (C26 H22 ClN3 O5 S)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[2-(4-chlorophenyl)-5-(34-dimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide

SMILES

COc(ccc(-c([nH]c(-c(cc1)ccc1Cl)n1)c1SCC(Nc(cc1)cc2c1OCO2)=O)c1)c1OC

InChI

InChI=1S/C26H22ClN3O5S/c1-32-19-9-5-16(11-21(19)33-2)24-26(30-25(29-24)15-3-6-17(27)7-4-15)36-13-23(31)28-18-8-10-20-22(12-18)35-14-34-20/h3-12H,13-14H2,1-2H3,(H,28,31)(H,29,30)

InChI Key

OIKMNSHIEXSOHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.770

Distribution Coefficient, logD

5.770

Water Solubility, LogSw

-6.07

Polar Surface Area

75.441

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C331-1885 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C331-1885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-1885?
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What is the minimum amount of C331-1885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1885
  • 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 C331-1885 available by request