0327-0003 Screening compound: 3-methyl-1-(2-oxo-2-phenylethyl)pyridinium

0327-0003 Screening compound: 3-methyl-1-(2-oxo-2-phenylethyl)pyridinium
0327-0003 Screening compound: 3-methyl-1-(2-oxo-2-phenylethyl)pyridinium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0327-0003
3-methyl-1-(2-oxo-2-phenylethyl)pyridinium

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

0327-0003

Molecular Formula

C14H14NO (C14 H14 NO)

Compound Name

3-methyl-1-(2-oxo-2-phenylethyl)pyridinium

IUPAC name

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

SMILES

Cc1ccc[n+](CC(c2ccccc2)=O)c1

InChI

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

InChI Key

VQUCOWCZHOXJNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805009

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

2.452

Distribution Coefficient, logD

2.452

Water Solubility, LogSw

-2.32

Polar Surface Area

16.171

Acid Dissociation Constant (pKa)

18.64

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

0327-0003 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0327-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0327-0003?
Check Price and Availability of 0327-0003, 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 0327-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0327-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0327-0003
  • 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 0327-0003 available by request