C682-0066 Screening compound: 1-benzyl-6-fluoro-3-(4-methoxybenzenesulfonyl)-1,4-dihydroquinolin-4-one

C682-0066 Screening compound: 1-benzyl-6-fluoro-3-(4-methoxybenzenesulfonyl)-1,4-dihydroquinolin-4-one
C682-0066 Screening compound: 1-benzyl-6-fluoro-3-(4-methoxybenzenesulfonyl)-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C682-0066
1-benzyl-6-fluoro-3-(4-methoxybenzenesulfonyl)-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

C682-0066

Molecular Formula

C23H18FNO4S (C23 H18 FNO4 S)

Compound Name

1-benzyl-6-fluoro-3-(4-methoxybenzenesulfonyl)-1,4-dihydroquinolin-4-one

IUPAC name

1-benzyl-6-fluoro-3-(4-methoxybenzenesulfonyl)-14-dihydroquinolin-4-one

SMILES

COc(cc1)ccc1S(C1=CN(Cc2ccccc2)c(ccc(F)c2)c2C1=O)(=O)=O

InChI

InChI=1S/C23H18FNO4S/c1-29-18-8-10-19(11-9-18)30(27,28)22-15-25(14-16-5-3-2-4-6-16)21-12-7-17(24)13-20(21)23(22)26/h2-13,15H,14H2,1H3

InChI Key

XBAUNOWBXAXOAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-4.10

Polar Surface Area

52.607

Acid Dissociation Constant (pKa)

29.49

Base Dissociation Constant (pKb)

-8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C682-0066 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 C682-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C682-0066?
Check Price and Availability of C682-0066, 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 C682-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C682-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C682-0066
  • 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 C682-0066 available by request