5829-9112 Screening compound: 2-methyl-5-[2-(phenylamino)ethyl]pyridin-1-ium-1-olate

5829-9112 Screening compound: 2-methyl-5-[2-(phenylamino)ethyl]pyridin-1-ium-1-olate
5829-9112 Screening compound: 2-methyl-5-[2-(phenylamino)ethyl]pyridin-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5829-9112
2-methyl-5-[2-(phenylamino)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

5829-9112

Molecular Formula

C14H16N2O (C14 H16 N2 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(CCNc1ccccc1)c1)[n+]1[O-]

InChI

InChI=1S/C14H16N2O/c1-12-7-8-13(11-16(12)17)9-10-15-14-5-3-2-4-6-14/h2-8,11,15H,9-10H2,1H3

InChI Key

FZPYMNOBFYWKFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00540068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

228.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.152

Distribution Coefficient, logD

2.152

Water Solubility, LogSw

-2.07

Polar Surface Area

29.190

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

5829-9112 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 5829-9112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5829-9112?
Check Price and Availability of 5829-9112, 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 5829-9112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5829-9112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5829-9112
  • 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 5829-9112 available by request