C301-8328 Screening compound: 5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

C301-8328 Screening compound: 5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
C301-8328 Screening compound: 5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8328
5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-1,3-dimethyl-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

C301-8328

Molecular Formula

C19H28N4O3S (C19 H28 N4 O3 S)

Compound Name

5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(S(N(CC1)CCN1C1CCCCC1)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C19H28N4O3S/c1-20-17-9-8-16(14-18(17)21(2)19(20)24)27(25,26)23-12-10-22(11-13-23)15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3

InChI Key

AIBIULYPFJSJSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.560

Water Solubility, LogSw

-3.05

Polar Surface Area

52.727

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

C301-8328 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-8328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8328?
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What is the minimum amount of C301-8328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8328
  • 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 C301-8328 available by request