E589-5256 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-3-carboxamide

E589-5256 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-3-carboxamide
E589-5256 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-5256
N-(3-chloro-4-fluorophenyl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-3-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

E589-5256

Molecular Formula

C21H19ClFN3O4S (C21 H19 ClFN3 O4 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-3-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-1-[(2-oxo-12-dihydroquinolin-6-yl)sulfonyl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1S(c(cc1)cc(C=C2)c1NC2=O)(=O)=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C21H19ClFN3O4S/c22-17-11-15(4-6-18(17)23)24-21(28)14-2-1-9-26(12-14)31(29,30)16-5-7-19-13(10-16)3-8-20(27)25-19/h3-8,10-11,14H,1-2,9,12H2,(H,24,28)(H,25,27)/t14-/m0/s1

InChI Key

TVPUDQIFQSLVML-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14901206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

2.965

Water Solubility, LogSw

-3.57

Polar Surface Area

79.795

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

E589-5256 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E589-5256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-5256?
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What is the minimum amount of E589-5256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-5256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-5256
  • 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 E589-5256 available by request