5829-9094 Screening compound: 2-methyl-5-[2-(N-methylacetamido)ethyl]pyridin-1-ium-1-olate

5829-9094 Screening compound: 2-methyl-5-[2-(N-methylacetamido)ethyl]pyridin-1-ium-1-olate
5829-9094 Screening compound: 2-methyl-5-[2-(N-methylacetamido)ethyl]pyridin-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5829-9094
2-methyl-5-[2-(N-methylacetamido)ethyl]pyridin-1-ium-1-olate

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

5829-9094

Molecular Formula

C11H16N2O2 (C11 H16 N2 O2)

Compound Name

2-methyl-5-[2-(N-methylacetamido)ethyl]pyridin-1-ium-1-olate

IUPAC name

2-methyl-5-[2-(N-methylacetamido)ethyl]pyridin-1-ium-1-olate

SMILES

CC(N(C)CCc1c[n+]([O-])c(C)cc1)=O

InChI

InChI=1S/C11H16N2O2/c1-9-4-5-11(8-13(9)15)6-7-12(3)10(2)14/h4-5,8H,6-7H2,1-3H3

InChI Key

LTGFVOPKQATPOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00540060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.404

Distribution Coefficient, logD

0.404

Water Solubility, LogSw

-1.24

Polar Surface Area

35.983

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

5829-9094 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5829-9094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5829-9094?
Check Price and Availability of 5829-9094, 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 5829-9094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5829-9094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5829-9094
  • 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 5829-9094 available by request