8014-8862 Screening compound: 4-(methoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium

8014-8862 Screening compound: 4-(methoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium
8014-8862 Screening compound: 4-(methoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8862
4-(methoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium

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

8014-8862

Molecular Formula

C15H14NO3 (C15 H14 NO3)

Compound Name

4-(methoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium

IUPAC name

4-(methoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium

SMILES

COC(c1cc[n+](CC(c2ccccc2)=O)cc1)=O

InChI

InChI=1S/C15H14NO3/c1-19-15(18)13-7-9-16(10-8-13)11-14(17)12-5-3-2-4-6-12/h2-10H,11H2,1H3/q+1

InChI Key

VUXGOEHUBPSSOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820664

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

256.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.257

Distribution Coefficient, logD

2.257

Water Solubility, LogSw

-2.22

Polar Surface Area

37.452

Acid Dissociation Constant (pKa)

18.64

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8014-8862 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8014-8862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8862?
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What is the minimum amount of 8014-8862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8862
  • 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 8014-8862 available by request