C331-1930 Screening compound: 2-{[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C331-1930 Screening compound: 2-{[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
C331-1930 Screening compound: 2-{[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1930
2-{[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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

C331-1930

Molecular Formula

C26H22ClN3O4S (C26 H22 ClN3 O4 S)

Compound Name

2-{[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-{[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

COc(cc1)ccc1-c1nc(SCC(Nc(cc2)cc3c2OCCO3)=O)c(-c(cc2)ccc2Cl)[nH]1

InChI

InChI=1S/C26H22ClN3O4S/c1-32-20-9-4-17(5-10-20)25-29-24(16-2-6-18(27)7-3-16)26(30-25)35-15-23(31)28-19-8-11-21-22(14-19)34-13-12-33-21/h2-11,14H,12-13,15H2,1H3,(H,28,31)(H,29,30)

InChI Key

IRBXKNVJMBJJHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.294

Distribution Coefficient, logD

5.294

Water Solubility, LogSw

-6.01

Polar Surface Area

66.432

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C331-1930 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Human Kinases Annotated Library (2415 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C331-1930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C331-1930?
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What is the minimum amount of C331-1930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1930
  • 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 C331-1930 available by request