Y040-2704 Screening compound: N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide

Y040-2704 Screening compound: N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide
Y040-2704 Screening compound: N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2704
N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-[(3,4,7-trimethyl-2-oxo-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

Y040-2704

Molecular Formula

C25H32N2O6 (C25 H32 N2 O6)

Compound Name

N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide

IUPAC name

N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-[(347-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide

SMILES

Cc1cc(OC(C(C)=C2C)=O)c2c(OCC(NCC(N(CC2)CC(CCCC3)C23O)=O)=O)c1

InChI

InChI=1S/C25H32N2O6/c1-15-10-19(23-16(2)17(3)24(30)33-20(23)11-15)32-14-21(28)26-12-22(29)27-9-8-25(31)7-5-4-6-18(25)13-27/h10-11,18,31H,4-9,12-14H2,1-3H3,(H,26,28)

InChI Key

VKNKODLUFKDQOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10040808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.832

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-3.01

Polar Surface Area

84.210

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.00

Y040-2704 in Drug Discovery

Included in Screening Libraries

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 Y040-2704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2704?
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What is the minimum amount of Y040-2704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2704
  • 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 Y040-2704 available by request