Y043-8326 Screening compound: 1-oxo-2-(4-pyridylmethyl)-1,2-dihydro-4-isoquinolinecarboxylic acid

Y043-8326 Screening compound: 1-oxo-2-(4-pyridylmethyl)-1,2-dihydro-4-isoquinolinecarboxylic acid
Y043-8326 Screening compound: 1-oxo-2-(4-pyridylmethyl)-1,2-dihydro-4-isoquinolinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8326
1-oxo-2-(4-pyridylmethyl)-1,2-dihydro-4-isoquinolinecarboxylic acid

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

Y043-8326

Molecular Formula

C16H12N2O3 (C16 H12 N2 O3)

Compound Name

1-oxo-2-(4-pyridylmethyl)-1,2-dihydro-4-isoquinolinecarboxylic acid

IUPAC name

1-oxo-2-[(pyridin-4-yl)methyl]-12-dihydroisoquinoline-4-carboxylic acid

SMILES

OC(C(c1c2cccc1)=CN(Cc1ccncc1)C2=O)=O

InChI

InChI=1S/C16H12N2O3/c19-15-13-4-2-1-3-12(13)14(16(20)21)10-18(15)9-11-5-7-17-8-6-11/h1-8,10H,9H2,(H,20,21)

InChI Key

FNFIGSVGIPMVQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22375174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.073

Distribution Coefficient, logD

-4.232

Water Solubility, LogSw

-1.74

Polar Surface Area

54.037

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

Y043-8326 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y043-8326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8326?
Check Price and Availability of Y043-8326, 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 Y043-8326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8326
  • 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 Y043-8326 available by request