Y040-8524 Screening compound: N-[1-(4a-hydroxy-decahydroisoquinolin-2-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]-2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

Y040-8524 Screening compound: N-[1-(4a-hydroxy-decahydroisoquinolin-2-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]-2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
Y040-8524 Screening compound: N-[1-(4a-hydroxy-decahydroisoquinolin-2-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]-2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8524
N-[1-(4a-hydroxy-decahydroisoquinolin-2-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]-2-[(3,4-dimethyl-2-oxo-2H-chromen-7-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

Y040-8524

Molecular Formula

C27H36N2O6S (C27 H36 N2 O6 S)

Compound Name

N-[1-(4a-hydroxy-decahydroisoquinolin-2-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]-2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

IUPAC name

N-[(2S)-1-(4a-hydroxy-decahydroisoquinolin-2-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]-2-[(34-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

SMILES

CC(c(ccc(OCC(NC(CCSC)C(N(CC1)CC(CCCC2)C12O)=O)=O)c1)c1O1)=C(C)C1=O

InChI

InChI=1S/C27H36N2O6S/c1-17-18(2)26(32)35-23-14-20(7-8-21(17)23)34-16-24(30)28-22(9-13-36-3)25(31)29-12-11-27(33)10-5-4-6-19(27)15-29/h7-8,14,19,22,33H,4-6,9-13,15-16H2,1-3H3,(H,28,30)/t19?,22-,27?/m0/s1

InChI Key

ZYUIOQKHOLFHGB-UPNKGIKISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.785

Distribution Coefficient, logD

2.785

Water Solubility, LogSw

-3.44

Polar Surface Area

84.281

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

59.30

Y040-8524 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 Y040-8524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8524?
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What is the minimum amount of Y040-8524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8524
  • 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 Y040-8524 available by request