E589-5135 Screening compound: N-(5-methylpyridin-2-yl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-3-carboxamide

E589-5135 Screening compound: N-(5-methylpyridin-2-yl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-3-carboxamide
E589-5135 Screening compound: N-(5-methylpyridin-2-yl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-5135
N-(5-methylpyridin-2-yl)-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

E589-5135

Molecular Formula

C21H22N4O4S (C21 H22 N4 O4 S)

Compound Name

N-(5-methylpyridin-2-yl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-3-carboxamide

IUPAC name

N-(5-methylpyridin-2-yl)-1-[(2-oxo-12-dihydroquinolin-6-yl)sulfonyl]piperidine-3-carboxamide

SMILES

Cc(cc1)cnc1NC(C(CCC1)CN1S(c(cc1)cc(C=C2)c1NC2=O)(=O)=O)=O

InChI

InChI=1S/C21H22N4O4S/c1-14-4-8-19(22-12-14)24-21(27)16-3-2-10-25(13-16)30(28,29)17-6-7-18-15(11-17)5-9-20(26)23-18/h4-9,11-12,16H,2-3,10,13H2,1H3,(H,23,26)(H,22,24,27)/t16-/m0/s1

InChI Key

ARHNMDYANMPDOZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14901162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.473

Distribution Coefficient, logD

2.466

Water Solubility, LogSw

-2.85

Polar Surface Area

89.499

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

E589-5135 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
  • Others
  • Kinases
Structure:
  • Pool
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E589-5135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-5135?
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What is the minimum amount of E589-5135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-5135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-5135
  • 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 E589-5135 available by request