Y040-8519 Screening compound: N-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-2-[(7-methyl-2-oxo-4-propyl-2H-chromen-5-yl)oxy]acetamide

Y040-8519 Screening compound: N-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-2-[(7-methyl-2-oxo-4-propyl-2H-chromen-5-yl)oxy]acetamide
Y040-8519 Screening compound: N-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-2-[(7-methyl-2-oxo-4-propyl-2H-chromen-5-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8519
N-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-2-[(7-methyl-2-oxo-4-propyl-2H-chromen-5-yl)oxy]acetamide

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

Y040-8519

Molecular Formula

C27H36N2O6 (C27 H36 N2 O6)

Compound Name

N-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-2-[(7-methyl-2-oxo-4-propyl-2H-chromen-5-yl)oxy]acetamide

IUPAC name

N-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-2-[(7-methyl-2-oxo-4-propyl-2H-chromen-5-yl)oxy]acetamide

SMILES

CCCC(c(c(OCC(NCCC(N(CC1)CC(CCCC2)C12O)=O)=O)cc(C)c1)c1O1)=CC1=O

InChI

InChI=1S/C27H36N2O6/c1-3-6-19-15-25(32)35-22-14-18(2)13-21(26(19)22)34-17-23(30)28-11-8-24(31)29-12-10-27(33)9-5-4-7-20(27)16-29/h13-15,20,33H,3-12,16-17H2,1-2H3,(H,28,30)

InChI Key

QBVWBLAHPAITMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10040799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.678

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-2.92

Polar Surface Area

83.537

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.30

Y040-8519 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-8519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8519?
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What is the minimum amount of Y040-8519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8519
  • 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 Y040-8519 available by request