Y042-5602 Screening compound: 2-(2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

Y042-5602 Screening compound: 2-(2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
Y042-5602 Screening compound: 2-(2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5602
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)-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

Y042-5602

Molecular Formula

C24H20N2O5 (C24 H20 N2 O5)

Compound Name

2-(2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

IUPAC name

2-(25-dimethoxyphenyl)-N-(2-hydroxyphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

COc(cc1)cc(N(C=C(C(Nc(cccc2)c2O)=O)c2c3cccc2)C3=O)c1OC

InChI

InChI=1S/C24H20N2O5/c1-30-15-11-12-22(31-2)20(13-15)26-14-18(16-7-3-4-8-17(16)24(26)29)23(28)25-19-9-5-6-10-21(19)27/h3-14,27H,1-2H3,(H,25,28)

InChI Key

VGQQGVSLTLCNMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22584260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-3.62

Polar Surface Area

69.569

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

Y042-5602 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 Y042-5602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5602?
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What is the minimum amount of Y042-5602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5602
  • 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 Y042-5602 available by request