C682-0038 Screening compound: 1-benzyl-6-ethoxy-3-(4-methylbenzenesulfonyl)-1,4-dihydroquinolin-4-one

C682-0038 Screening compound: 1-benzyl-6-ethoxy-3-(4-methylbenzenesulfonyl)-1,4-dihydroquinolin-4-one
C682-0038 Screening compound: 1-benzyl-6-ethoxy-3-(4-methylbenzenesulfonyl)-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C682-0038
1-benzyl-6-ethoxy-3-(4-methylbenzenesulfonyl)-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

C682-0038

Molecular Formula

C25H23NO4S (C25 H23 NO4 S)

Compound Name

1-benzyl-6-ethoxy-3-(4-methylbenzenesulfonyl)-1,4-dihydroquinolin-4-one

IUPAC name

1-benzyl-6-ethoxy-3-(4-methylbenzenesulfonyl)-14-dihydroquinolin-4-one

SMILES

CCOc(cc1)cc(C2=O)c1N(Cc1ccccc1)C=C2S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C25H23NO4S/c1-3-30-20-11-14-23-22(15-20)25(27)24(17-26(23)16-19-7-5-4-6-8-19)31(28,29)21-12-9-18(2)10-13-21/h4-15,17H,3,16H2,1-2H3

InChI Key

WPVYAEVZLTXJAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

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

4.637

Distribution Coefficient, logD

4.637

Water Solubility, LogSw

-4.53

Polar Surface Area

52.187

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C682-0038 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C682-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C682-0038?
Check Price and Availability of C682-0038, 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 C682-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C682-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C682-0038
  • 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 C682-0038 available by request