C682-1288 Screening compound: 3-(benzenesulfonyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]-1,4-dihydroquinolin-4-one

C682-1288 Screening compound: 3-(benzenesulfonyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]-1,4-dihydroquinolin-4-one
C682-1288 Screening compound: 3-(benzenesulfonyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C682-1288
3-(benzenesulfonyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]-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

C682-1288

Molecular Formula

C22H14F3NO3S (C22 H14 F3 NO3 S)

Compound Name

3-(benzenesulfonyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]-1,4-dihydroquinolin-4-one

IUPAC name

3-(benzenesulfonyl)-67-difluoro-1-[(4-fluorophenyl)methyl]-14-dihydroquinolin-4-one

SMILES

O=C1C(S(c2ccccc2)(=O)=O)=CN(Cc(cc2)ccc2F)c(cc2F)c1cc2F

InChI

InChI=1S/C22H14F3NO3S/c23-15-8-6-14(7-9-15)12-26-13-21(30(28,29)16-4-2-1-3-5-16)22(27)17-10-18(24)19(25)11-20(17)26/h1-11,13H,12H2

InChI Key

QKWBSQUTFSPSQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.42

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

3.867

Distribution Coefficient, logD

3.867

Water Solubility, LogSw

-4.08

Polar Surface Area

45.063

Acid Dissociation Constant (pKa)

28.79

Base Dissociation Constant (pKb)

-9.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C682-1288 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C682-1288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C682-1288?
Check Price and Availability of C682-1288, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C682-1288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C682-1288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C682-1288
  • 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 C682-1288 available by request