Y031-7819 Screening compound: 2-ethyl-1-[(2-nitrophenyl)sulfonyl]piperidine

Y031-7819 Screening compound: 2-ethyl-1-[(2-nitrophenyl)sulfonyl]piperidine
Y031-7819 Screening compound: 2-ethyl-1-[(2-nitrophenyl)sulfonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7819
2-ethyl-1-[(2-nitrophenyl)sulfonyl]piperidine

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

Y031-7819

Molecular Formula

C13H18N2O4S (C13 H18 N2 O4 S)

Compound Name

2-ethyl-1-[(2-nitrophenyl)sulfonyl]piperidine

IUPAC name

2-ethyl-1-(2-nitrobenzenesulfonyl)piperidine

SMILES

CCC(CCCC1)N1S(c(cccc1)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C13H18N2O4S/c1-2-11-7-5-6-10-14(11)20(18,19)13-9-4-3-8-12(13)15(16)17/h3-4,8-9,11H,2,5-7,10H2,1H3/t11-/m0/s1

InChI Key

FTPHIBITRUCWJT-NSHDSACASA-N

MDL Number (MFCD)

MFCD00577628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.704

Distribution Coefficient, logD

2.704

Water Solubility, LogSw

-3.09

Polar Surface Area

65.453

Acid Dissociation Constant (pKa)

26.77

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

Y031-7819 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-7819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7819?
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What is the minimum amount of Y031-7819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7819
  • 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 Y031-7819 available by request