C682-1245 Screening compound: 1-[(3-chlorophenyl)methyl]-3-(4-ethylbenzenesulfonyl)-6-methoxy-1,4-dihydroquinolin-4-one

C682-1245 Screening compound: 1-[(3-chlorophenyl)methyl]-3-(4-ethylbenzenesulfonyl)-6-methoxy-1,4-dihydroquinolin-4-one
C682-1245 Screening compound: 1-[(3-chlorophenyl)methyl]-3-(4-ethylbenzenesulfonyl)-6-methoxy-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C682-1245
1-[(3-chlorophenyl)methyl]-3-(4-ethylbenzenesulfonyl)-6-methoxy-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

C682-1245

Molecular Formula

C25H22ClNO4S (C25 H22 ClNO4 S)

Compound Name

1-[(3-chlorophenyl)methyl]-3-(4-ethylbenzenesulfonyl)-6-methoxy-1,4-dihydroquinolin-4-one

IUPAC name

1-[(3-chlorophenyl)methyl]-3-(4-ethylbenzenesulfonyl)-6-methoxy-14-dihydroquinolin-4-one

SMILES

CCc(cc1)ccc1S(C1=CN(Cc2cccc(Cl)c2)c(ccc(OC)c2)c2C1=O)(=O)=O

InChI

InChI=1S/C25H22ClNO4S/c1-3-17-7-10-21(11-8-17)32(29,30)24-16-27(15-18-5-4-6-19(26)13-18)23-12-9-20(31-2)14-22(23)25(24)28/h4-14,16H,3,15H2,1-2H3

InChI Key

XXXGVWNROVLBFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.412

Water Solubility, LogSw

-5.85

Polar Surface Area

52.607

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-7.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C682-1245 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C682-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C682-1245?
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What is the minimum amount of C682-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C682-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C682-1245
  • 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 C682-1245 available by request