C682-1495 Screening compound: 1-ethyl-3-[(4-fluorophenyl)sulfonyl]-4(1H)-quinolinone

C682-1495 Screening compound: 1-ethyl-3-[(4-fluorophenyl)sulfonyl]-4(1H)-quinolinone
C682-1495 Screening compound: 1-ethyl-3-[(4-fluorophenyl)sulfonyl]-4(1H)-quinolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound C682-1495
1-ethyl-3-[(4-fluorophenyl)sulfonyl]-4(1H)-quinolinone

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

C682-1495

Molecular Formula

C17H14FNO3S (C17 H14 FNO3 S)

Compound Name

1-ethyl-3-[(4-fluorophenyl)sulfonyl]-4(1H)-quinolinone

IUPAC name

1-ethyl-3-(4-fluorobenzenesulfonyl)-14-dihydroquinolin-4-one

SMILES

CCN(C=C1S(c(cc2)ccc2F)(=O)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C17H14FNO3S/c1-2-19-11-16(17(20)14-5-3-4-6-15(14)19)23(21,22)13-9-7-12(18)8-10-13/h3-11H,2H2,1H3

InChI Key

KJOBCMZUPNLAMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.750

Distribution Coefficient, logD

2.750

Water Solubility, LogSw

-3.63

Polar Surface Area

45.060

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

C682-1495 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 C682-1495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C682-1495?
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What is the minimum amount of C682-1495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C682-1495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C682-1495
  • 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 C682-1495 available by request