0813-0032 Screening compound: 4-amino-2,3-dimethyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium

0813-0032 Screening compound: 4-amino-2,3-dimethyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium
0813-0032 Screening compound: 4-amino-2,3-dimethyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0813-0032
4-amino-2,3-dimethyl-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

0813-0032

Molecular Formula

C15H17N2O (C15 H17 N2 O)

Compound Name

4-amino-2,3-dimethyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium

IUPAC name

4-amino-23-dimethyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium

SMILES

Cc(c(C)[n+](CC(c1ccccc1)=O)cc1)c1N

InChI

InChI=1S/C15H16N2O/c1-11-12(2)17(9-8-14(11)16)10-15(18)13-6-4-3-5-7-13/h3-9,16H,10H2,1-2H3/p+1

InChI Key

QHCWAWJTZYXXPU-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00631952

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

241.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.966

Distribution Coefficient, logD

1.966

Water Solubility, LogSw

-2.22

Polar Surface Area

34.899

Acid Dissociation Constant (pKa)

18.27

Base Dissociation Constant (pKb)

-5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0813-0032 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with 0813-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0813-0032?
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What is the minimum amount of 0813-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0813-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0813-0032
  • 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 0813-0032 available by request