C682-0378 Screening compound: 3-(benzenesulfonyl)-1-[(2-chlorophenyl)methyl]-6-fluoro-1,4-dihydroquinolin-4-one

C682-0378 Screening compound: 3-(benzenesulfonyl)-1-[(2-chlorophenyl)methyl]-6-fluoro-1,4-dihydroquinolin-4-one
C682-0378 Screening compound: 3-(benzenesulfonyl)-1-[(2-chlorophenyl)methyl]-6-fluoro-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C682-0378
3-(benzenesulfonyl)-1-[(2-chlorophenyl)methyl]-6-fluoro-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

C682-0378

Molecular Formula

C22H15ClFNO3S (C22 H15 ClFNO3 S)

Compound Name

3-(benzenesulfonyl)-1-[(2-chlorophenyl)methyl]-6-fluoro-1,4-dihydroquinolin-4-one

IUPAC name

3-(benzenesulfonyl)-1-[(2-chlorophenyl)methyl]-6-fluoro-14-dihydroquinolin-4-one

SMILES

O=C1C(S(c2ccccc2)(=O)=O)=CN(Cc(cccc2)c2Cl)c(cc2)c1cc2F

InChI

InChI=1S/C22H15ClFNO3S/c23-19-9-5-4-6-15(19)13-25-14-21(29(27,28)17-7-2-1-3-8-17)22(26)18-12-16(24)10-11-20(18)25/h1-12,14H,13H2

InChI Key

ZMGIGWDOJBYHBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05900030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.570

Distribution Coefficient, logD

4.570

Water Solubility, LogSw

-4.61

Polar Surface Area

45.063

Acid Dissociation Constant (pKa)

29.49

Base Dissociation Constant (pKb)

-9.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C682-0378 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 C682-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C682-0378?
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What is the minimum amount of C682-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C682-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C682-0378
  • 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 C682-0378 available by request