C682-1183 Screening compound: 3-(4-ethoxybenzenesulfonyl)-1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroquinolin-4-one

C682-1183 Screening compound: 3-(4-ethoxybenzenesulfonyl)-1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroquinolin-4-one
C682-1183 Screening compound: 3-(4-ethoxybenzenesulfonyl)-1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C682-1183
3-(4-ethoxybenzenesulfonyl)-1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-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

C682-1183

Molecular Formula

C26H24FNO6S (C26 H24 FNO6 S)

Compound Name

3-(4-ethoxybenzenesulfonyl)-1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroquinolin-4-one

IUPAC name

3-(4-ethoxybenzenesulfonyl)-1-[(3-fluorophenyl)methyl]-67-dimethoxy-14-dihydroquinolin-4-one

SMILES

CCOc(cc1)ccc1S(C1=CN(Cc2cc(F)ccc2)c(cc(c(OC)c2)OC)c2C1=O)(=O)=O

InChI

InChI=1S/C26H24FNO6S/c1-4-34-19-8-10-20(11-9-19)35(30,31)25-16-28(15-17-6-5-7-18(27)12-17)22-14-24(33-3)23(32-2)13-21(22)26(25)29/h5-14,16H,4,15H2,1-3H3

InChI Key

BHVWYSAVKMODRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.34

Polar Surface Area

67.448

Acid Dissociation Constant (pKa)

29.49

Base Dissociation Constant (pKb)

-7.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C682-1183 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C682-1183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C682-1183?
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What is the minimum amount of C682-1183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C682-1183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C682-1183
  • 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 C682-1183 available by request