C682-1306 Screening compound: 3-(4-ethylbenzenesulfonyl)-6,7-difluoro-1-propyl-1,4-dihydroquinolin-4-one

C682-1306 Screening compound: 3-(4-ethylbenzenesulfonyl)-6,7-difluoro-1-propyl-1,4-dihydroquinolin-4-one
C682-1306 Screening compound: 3-(4-ethylbenzenesulfonyl)-6,7-difluoro-1-propyl-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C682-1306
3-(4-ethylbenzenesulfonyl)-6,7-difluoro-1-propyl-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

C682-1306

Molecular Formula

C20H19F2NO3S (C20 H19 F2 NO3 S)

Compound Name

3-(4-ethylbenzenesulfonyl)-6,7-difluoro-1-propyl-1,4-dihydroquinolin-4-one

IUPAC name

3-(4-ethylbenzenesulfonyl)-67-difluoro-1-propyl-14-dihydroquinolin-4-one

SMILES

CCCN(C=C1S(c2ccc(CC)cc2)(=O)=O)c(cc(c(F)c2)F)c2C1=O

InChI

InChI=1S/C20H19F2NO3S/c1-3-9-23-12-19(20(24)15-10-16(21)17(22)11-18(15)23)27(25,26)14-7-5-13(4-2)6-8-14/h5-8,10-12H,3-4,9H2,1-2H3

InChI Key

FHDIBSMZGHGXJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.393

Distribution Coefficient, logD

4.393

Water Solubility, LogSw

-4.28

Polar Surface Area

45.313

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C682-1306 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 C682-1306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C682-1306?
Check Price and Availability of C682-1306, 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 C682-1306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C682-1306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C682-1306
  • 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 C682-1306 available by request