E599-0416 Screening compound: 1-butyl-3-(2,5-dimethylbenzenesulfonyl)-6-fluoro-7-(piperidin-1-yl)-1,4-dihydroquinolin-4-one

E599-0416 Screening compound: 1-butyl-3-(2,5-dimethylbenzenesulfonyl)-6-fluoro-7-(piperidin-1-yl)-1,4-dihydroquinolin-4-one
E599-0416 Screening compound: 1-butyl-3-(2,5-dimethylbenzenesulfonyl)-6-fluoro-7-(piperidin-1-yl)-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E599-0416
1-butyl-3-(2,5-dimethylbenzenesulfonyl)-6-fluoro-7-(piperidin-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

E599-0416

Molecular Formula

C26H31FN2O3S (C26 H31 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C=C1S(c2c(C)ccc(C)c2)(=O)=O)c(cc(c(F)c2)N3CCCCC3)c2C1=O

InChI

InChI=1S/C26H31FN2O3S/c1-4-5-11-29-17-25(33(31,32)24-14-18(2)9-10-19(24)3)26(30)20-15-21(27)23(16-22(20)29)28-12-7-6-8-13-28/h9-10,14-17H,4-8,11-13H2,1-3H3

InChI Key

ULXCUSIUKKIUJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.345

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-5.33

Polar Surface Area

48.465

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

E599-0416 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E599-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E599-0416?
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What is the minimum amount of E599-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E599-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E599-0416
  • 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 E599-0416 available by request