C301-3289 Screening compound: 1,3-dimethyl-5-[(4-phenylpiperazin-1-yl)sulfonyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one

C301-3289 Screening compound: 1,3-dimethyl-5-[(4-phenylpiperazin-1-yl)sulfonyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
C301-3289 Screening compound: 1,3-dimethyl-5-[(4-phenylpiperazin-1-yl)sulfonyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3289
1,3-dimethyl-5-[(4-phenylpiperazin-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

C301-3289

Molecular Formula

C19H22N4O3S (C19 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(S(N(CC1)CCN1c1ccccc1)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C19H22N4O3S/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/h3-9,14H,10-13H2,1-2H3

InChI Key

IGHAZFMFZCUSQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06599801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.617

Distribution Coefficient, logD

2.617

Water Solubility, LogSw

-3.13

Polar Surface Area

52.894

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C301-3289 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C301-3289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3289?
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What is the minimum amount of C301-3289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3289
  • 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 C301-3289 available by request