8017-6293 Screening compound: 5-{[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

8017-6293 Screening compound: 5-{[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
8017-6293 Screening compound: 5-{[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6293
5-{[4-(7-chloroquinolin-4-yl)piperazin-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

8017-6293

Molecular Formula

C22H22ClN5O3S (C22 H22 ClN5 O3 S)

Compound Name

5-{[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-{[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl}-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(S(N(CC1)CCN1c1c(ccc(Cl)c2)c2ncc1)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C22H22ClN5O3S/c1-25-20-6-4-16(14-21(20)26(2)22(25)29)32(30,31)28-11-9-27(10-12-28)19-7-8-24-18-13-15(23)3-5-17(18)19/h3-8,13-14H,9-12H2,1-2H3

InChI Key

QJLHXDAXSJEXKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.97

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

3.908

Distribution Coefficient, logD

3.056

Water Solubility, LogSw

-4.31

Polar Surface Area

61.356

Acid Dissociation Constant (pKa)

26.09

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

8017-6293 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-6293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6293?
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What is the minimum amount of 8017-6293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6293
  • 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 8017-6293 available by request