Y040-2707 Screening compound: N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamide

Y040-2707 Screening compound: N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamide
Y040-2707 Screening compound: N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2707
N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-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

Y040-2707

Molecular Formula

C26H32N2O6 (C26 H32 N2 O6)

Compound Name

N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamide

IUPAC name

N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-({7-methyl-4-oxo-1H2H3H4H-cyclopenta[c]chromen-9-yl}oxy)acetamide

SMILES

Cc1cc(OC(C2=C3CCC2)=O)c3c(OCC(NCC(N(CC2)CC(CCCC3)C23O)=O)=O)c1

InChI

InChI=1S/C26H32N2O6/c1-16-11-20(24-18-6-4-7-19(18)25(31)34-21(24)12-16)33-15-22(29)27-13-23(30)28-10-9-26(32)8-3-2-5-17(26)14-28/h11-12,17,32H,2-10,13-15H2,1H3,(H,27,29)

InChI Key

GWHVGLSDQZQRLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10040815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

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

2.653

Distribution Coefficient, logD

2.653

Water Solubility, LogSw

-2.75

Polar Surface Area

84.497

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.70

Y040-2707 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-2707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2707?
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What is the minimum amount of Y040-2707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2707
  • 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 Y040-2707 available by request