E599-0686 Screening compound: 3-(3-chlorobenzenesulfonyl)-6-fluoro-1-methyl-7-(4-methylpiperazin-1-yl)-1,4-dihydroquinolin-4-one

E599-0686 Screening compound: 3-(3-chlorobenzenesulfonyl)-6-fluoro-1-methyl-7-(4-methylpiperazin-1-yl)-1,4-dihydroquinolin-4-one
E599-0686 Screening compound: 3-(3-chlorobenzenesulfonyl)-6-fluoro-1-methyl-7-(4-methylpiperazin-1-yl)-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E599-0686
3-(3-chlorobenzenesulfonyl)-6-fluoro-1-methyl-7-(4-methylpiperazin-1-yl)-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

E599-0686

Molecular Formula

C21H21ClFN3O3S (C21 H21 ClFN3 O3 S)

Compound Name

3-(3-chlorobenzenesulfonyl)-6-fluoro-1-methyl-7-(4-methylpiperazin-1-yl)-1,4-dihydroquinolin-4-one

IUPAC name

3-(3-chlorobenzenesulfonyl)-6-fluoro-1-methyl-7-(4-methylpiperazin-1-yl)-14-dihydroquinolin-4-one

SMILES

CN(CC1)CCN1c(c(F)c1)cc(N(C)C=C2S(c3cccc(Cl)c3)(=O)=O)c1C2=O

InChI

InChI=1S/C21H21ClFN3O3S/c1-24-6-8-26(9-7-24)19-12-18-16(11-17(19)23)21(27)20(13-25(18)2)30(28,29)15-5-3-4-14(22)10-15/h3-5,10-13H,6-9H2,1-2H3

InChI Key

ANOPANSREPCUQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14903006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.362

Distribution Coefficient, logD

2.044

Water Solubility, LogSw

-3.41

Polar Surface Area

51.678

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E599-0686 in Drug Discovery

Included in Screening Libraries

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

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 E599-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E599-0686?
Check Price and Availability of E599-0686, 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 E599-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E599-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E599-0686
  • 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 E599-0686 available by request