3429-0041 Screening compound: 1-(6-methyl-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)pyridinium

3429-0041 Screening compound: 1-(6-methyl-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)pyridinium
3429-0041 Screening compound: 1-(6-methyl-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)pyridinium alternative view

Chemical Structure Depiction of ChemDiv screening compound 3429-0041
1-(6-methyl-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)pyridinium

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

3429-0041

Molecular Formula

C21H17N2O (C21 H17 N2 O)

Compound Name

1-(6-methyl-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)pyridinium

IUPAC name

1-(6-methyl-2-oxo-4-phenyl-12-dihydroquinolin-3-yl)-1lambda5-pyridin-1-ylium

SMILES

Cc(cc1)cc(C(c2ccccc2)=C2[n+]3ccccc3)c1NC2=O

InChI

InChI=1S/C21H16N2O/c1-15-10-11-18-17(14-15)19(16-8-4-2-5-9-16)20(21(24)22-18)23-12-6-3-7-13-23/h2-14H,1H3/p+1

InChI Key

RDLDLNJBWAJVSJ-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD02992205

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

313.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.183

Distribution Coefficient, logD

4.183

Water Solubility, LogSw

-4.27

Polar Surface Area

27.730

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3429-0041 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3429-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3429-0041?
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What is the minimum amount of 3429-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3429-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3429-0041
  • 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 3429-0041 available by request