0986-0262 Screening compound: 3-carbamoyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-1-ium

0986-0262 Screening compound: 3-carbamoyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-1-ium
0986-0262 Screening compound: 3-carbamoyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0986-0262
3-carbamoyl-1-[2-(4-methylphenyl)-2-oxoethyl]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

0986-0262

Molecular Formula

C15H15N2O2 (C15 H15 N2 O2)

Compound Name

3-carbamoyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-1-ium

IUPAC name

3-carbamoyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-1-ium

SMILES

Cc(cc1)ccc1C(C[n+]1cccc(C(N)=O)c1)=O

InChI

InChI=1S/C15H14N2O2/c1-11-4-6-12(7-5-11)14(18)10-17-8-2-3-13(9-17)15(16)19/h2-9H,10H2,1H3,(H-,16,19)/p+1

InChI Key

ALMRHMGALLGONV-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00225721

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

255.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.393

Distribution Coefficient, logD

1.393

Water Solubility, LogSw

-1.78

Polar Surface Area

50.230

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0986-0262 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 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 0986-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0986-0262?
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What is the minimum amount of 0986-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0986-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0986-0262
  • 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 0986-0262 available by request