0086-0042 Screening compound: 2-methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium

0086-0042 Screening compound: 2-methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium
0086-0042 Screening compound: 2-methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0086-0042
2-methyl-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

0086-0042

Molecular Formula

C14H14NO (C14 H14 NO)

Compound Name

2-methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium

IUPAC name

2-methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium

SMILES

Cc1[n+](CC(c2ccccc2)=O)cccc1

InChI

InChI=1S/C14H14NO/c1-12-7-5-6-10-15(12)11-14(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3/q+1

InChI Key

ZPHBROYGBIQXLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00680502

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

212.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.933

Distribution Coefficient, logD

1.933

Water Solubility, LogSw

-2.14

Polar Surface Area

15.027

Acid Dissociation Constant (pKa)

18.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0086-0042 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 0086-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0086-0042?
Check Price and Availability of 0086-0042, 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 0086-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0086-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0086-0042
  • 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 0086-0042 available by request