0327-0033 Screening compound: 3-carbamoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium

0327-0033 Screening compound: 3-carbamoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium
0327-0033 Screening compound: 3-carbamoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0327-0033
3-carbamoyl-1-[2-(4-methoxyphenyl)-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

0327-0033

Molecular Formula

C15H15N2O3 (C15 H15 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C15H14N2O3/c1-20-13-6-4-11(5-7-13)14(18)10-17-8-2-3-12(9-17)15(16)19/h2-9H,10H2,1H3,(H-,16,19)/p+1

InChI Key

PFYFANRHYIWRMC-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00985095

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

271.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.952

Distribution Coefficient, logD

0.952

Water Solubility, LogSw

-1.38

Polar Surface Area

57.774

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0327-0033 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 0327-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0327-0033?
Check Price and Availability of 0327-0033, 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 0327-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0327-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0327-0033
  • 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 0327-0033 available by request