Y042-5606 Screening compound: 2-(2-methoxybenzyl)-N-(6-methoxy-3-pyridyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

Y042-5606 Screening compound: 2-(2-methoxybenzyl)-N-(6-methoxy-3-pyridyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
Y042-5606 Screening compound: 2-(2-methoxybenzyl)-N-(6-methoxy-3-pyridyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5606
2-(2-methoxybenzyl)-N-(6-methoxy-3-pyridyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

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

Y042-5606

Molecular Formula

C24H21N3O4 (C24 H21 N3 O4)

Compound Name

2-(2-methoxybenzyl)-N-(6-methoxy-3-pyridyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

IUPAC name

2-[(2-methoxyphenyl)methyl]-N-(6-methoxypyridin-3-yl)-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

COc1c(CN(C=C(C(Nc(cc2)cnc2OC)=O)c2c3cccc2)C3=O)cccc1

InChI

InChI=1S/C24H21N3O4/c1-30-21-10-6-3-7-16(21)14-27-15-20(18-8-4-5-9-19(18)24(27)29)23(28)26-17-11-12-22(31-2)25-13-17/h3-13,15H,14H2,1-2H3,(H,26,28)

InChI Key

WQPZBMPXJYPEFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22583670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.493

Distribution Coefficient, logD

3.488

Water Solubility, LogSw

-3.59

Polar Surface Area

63.504

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y042-5606 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y042-5606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5606?
Check Price and Availability of Y042-5606, 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 Y042-5606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5606
  • 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 Y042-5606 available by request