C301-9683 Screening compound: 5-bromo-6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

C301-9683 Screening compound: 5-bromo-6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
C301-9683 Screening compound: 5-bromo-6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9683
5-bromo-6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

C301-9683

Molecular Formula

C19H21BrN4O3S (C19 H21 BrN4 O3 S)

Compound Name

5-bromo-6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-bromo-6-{[4-(23-dimethylphenyl)piperazin-1-yl]sulfonyl}-23-dihydro-1H-13-benzodiazol-2-one

SMILES

Cc1cccc(N(CC2)CCN2S(c(cc(c(N2)c3)NC2=O)c3Br)(=O)=O)c1C

InChI

InChI=1S/C19H21BrN4O3S/c1-12-4-3-5-17(13(12)2)23-6-8-24(9-7-23)28(26,27)18-11-16-15(10-14(18)20)21-19(25)22-16/h3-5,10-11H,6-9H2,1-2H3,(H2,21,22,25)

InChI Key

YUFVLZJGJFVJAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.821

Distribution Coefficient, logD

3.726

Water Solubility, LogSw

-3.94

Polar Surface Area

70.636

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C301-9683 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C301-9683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9683?
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What is the minimum amount of C301-9683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9683
  • 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 C301-9683 available by request