C331-1890 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide

C331-1890 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide
C331-1890 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1890
N-(2H-1,3-benzodioxol-5-yl)-2-{[2,5-bis(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

C331-1890

Molecular Formula

C26H23N3O5S (C26 H23 N3 O5 S)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[25-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide

SMILES

COc(cc1)ccc1-c([nH]c(-c(cc1)ccc1OC)n1)c1SCC(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C26H23N3O5S/c1-31-19-8-3-16(4-9-19)24-26(29-25(28-24)17-5-10-20(32-2)11-6-17)35-14-23(30)27-18-7-12-21-22(13-18)34-15-33-21/h3-13H,14-15H2,1-2H3,(H,27,30)(H,28,29)

InChI Key

NQBZBGASHLJNGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

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

5.542

Distribution Coefficient, logD

5.542

Water Solubility, LogSw

-5.43

Polar Surface Area

75.268

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C331-1890 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with C331-1890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-1890?
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What is the minimum amount of C331-1890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1890
  • 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 C331-1890 available by request