C682-1582 Screening compound: 1-butyl-6-chloro-3-(4-methylbenzenesulfonyl)-1,4-dihydroquinolin-4-one

C682-1582 Screening compound: 1-butyl-6-chloro-3-(4-methylbenzenesulfonyl)-1,4-dihydroquinolin-4-one
C682-1582 Screening compound: 1-butyl-6-chloro-3-(4-methylbenzenesulfonyl)-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C682-1582
1-butyl-6-chloro-3-(4-methylbenzenesulfonyl)-1,4-dihydroquinolin-4-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

C682-1582

Molecular Formula

C20H20ClNO3S (C20 H20 ClNO3 S)

Compound Name

1-butyl-6-chloro-3-(4-methylbenzenesulfonyl)-1,4-dihydroquinolin-4-one

IUPAC name

1-butyl-6-chloro-3-(4-methylbenzenesulfonyl)-14-dihydroquinolin-4-one

SMILES

CCCCN(C=C1S(c2ccc(C)cc2)(=O)=O)c(ccc(Cl)c2)c2C1=O

InChI

InChI=1S/C20H20ClNO3S/c1-3-4-11-22-13-19(20(23)17-12-15(21)7-10-18(17)22)26(24,25)16-8-5-14(2)6-9-16/h5-10,12-13H,3-4,11H2,1-2H3

InChI Key

CGBVEEHZLDKCNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.684

Distribution Coefficient, logD

4.684

Water Solubility, LogSw

-4.71

Polar Surface Area

45.313

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C682-1582 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C682-1582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C682-1582?
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What is the minimum amount of C682-1582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C682-1582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C682-1582
  • 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 C682-1582 available by request