C301-8322 Screening compound: 1,3-dimethyl-5-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

C301-8322 Screening compound: 1,3-dimethyl-5-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
C301-8322 Screening compound: 1,3-dimethyl-5-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8322
1,3-dimethyl-5-{[4-(pyridin-2-yl)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

C301-8322

Molecular Formula

C18H21N5O3S (C18 H21 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(S(N(CC1)CCN1c1ncccc1)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C18H21N5O3S/c1-20-15-7-6-14(13-16(15)21(2)18(20)24)27(25,26)23-11-9-22(10-12-23)17-5-3-4-8-19-17/h3-8,13H,9-12H2,1-2H3

InChI Key

VJMMADDPBCIHLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

2.261

Water Solubility, LogSw

-2.77

Polar Surface Area

61.406

Acid Dissociation Constant (pKa)

24.57

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-8322 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-8322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8322?
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What is the minimum amount of C301-8322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8322
  • 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 C301-8322 available by request