E599-0424 Screening compound: 1-butyl-3-(2,5-dimethylbenzenesulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-1,4-dihydroquinolin-4-one

E599-0424 Screening compound: 1-butyl-3-(2,5-dimethylbenzenesulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-1,4-dihydroquinolin-4-one
E599-0424 Screening compound: 1-butyl-3-(2,5-dimethylbenzenesulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E599-0424
1-butyl-3-(2,5-dimethylbenzenesulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-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

E599-0424

Molecular Formula

C27H34FN3O3S (C27 H34 FN3 O3 S)

Compound Name

1-butyl-3-(2,5-dimethylbenzenesulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-1,4-dihydroquinolin-4-one

IUPAC name

1-butyl-3-(25-dimethylbenzenesulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-14-dihydroquinolin-4-one

SMILES

CCCCN(C=C1S(c2c(C)ccc(C)c2)(=O)=O)c(cc(c(F)c2)N3CCN(CC)CC3)c2C1=O

InChI

InChI=1S/C27H34FN3O3S/c1-5-7-10-31-18-26(35(33,34)25-15-19(3)8-9-20(25)4)27(32)21-16-22(28)24(17-23(21)31)30-13-11-29(6-2)12-14-30/h8-9,15-18H,5-7,10-14H2,1-4H3

InChI Key

WPAFIPOCVPIAEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.508

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.21

Polar Surface Area

52.001

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

E599-0424 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E599-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E599-0424?
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What is the minimum amount of E599-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E599-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E599-0424
  • 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 E599-0424 available by request