E459-0045 Screening compound: N-(4-ethylphenyl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-4-carboxamide

E459-0045 Screening compound: N-(4-ethylphenyl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-4-carboxamide
E459-0045 Screening compound: N-(4-ethylphenyl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E459-0045
N-(4-ethylphenyl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-4-carboxamide

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

E459-0045

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

N-(4-ethylphenyl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-4-carboxamide

IUPAC name

N-(4-ethylphenyl)-1-[(2-oxo-12-dihydroquinolin-6-yl)sulfonyl]piperidine-4-carboxamide

SMILES

CCc(cc1)ccc1NC(C(CC1)CCN1S(c(cc1)cc(C=C2)c1NC2=O)(=O)=O)=O

InChI

InChI=1S/C23H25N3O4S/c1-2-16-3-6-19(7-4-16)24-23(28)17-11-13-26(14-12-17)31(29,30)20-8-9-21-18(15-20)5-10-22(27)25-21/h3-10,15,17H,2,11-14H2,1H3,(H,24,28)(H,25,27)

InChI Key

MESIQIOXOPSHCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.401

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-3.71

Polar Surface Area

79.861

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E459-0045 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E459-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E459-0045?
Check Price and Availability of E459-0045, 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 E459-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E459-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E459-0045
  • 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 E459-0045 available by request