C331-1948 Screening compound: 2-{[2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C331-1948 Screening compound: 2-{[2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
C331-1948 Screening compound: 2-{[2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C331-1948
2-{[2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-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

C331-1948

Molecular Formula

C27H24BrN3O5S (C27 H24 BrN3 O5 S)

Compound Name

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

IUPAC name

2-{[2-(4-bromophenyl)-5-(34-dimethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

COc(ccc(-c([nH]c(-c(cc1)ccc1Br)n1)c1SCC(Nc(cc1)cc2c1OCCO2)=O)c1)c1OC

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.47

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

5.149

Distribution Coefficient, logD

5.149

Water Solubility, LogSw

-5.06

Polar Surface Area

74.149

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C331-1948 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 C331-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C331-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C331-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C331-1948
  • 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 C331-1948 available by request