Y040-8561 Screening compound: 3-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-4-methyl-7-[(2,3,4,5,6-pentamethylphenyl)methoxy]-2H-chromen-2-one

Y040-8561 Screening compound: 3-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-4-methyl-7-[(2,3,4,5,6-pentamethylphenyl)methoxy]-2H-chromen-2-one
Y040-8561 Screening compound: 3-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-4-methyl-7-[(2,3,4,5,6-pentamethylphenyl)methoxy]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8561
3-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-4-methyl-7-[(2,3,4,5,6-pentamethylphenyl)methoxy]-2H-chromen-2-one

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

Y040-8561

Molecular Formula

C34H43NO5 (C34 H43 NO5)

Compound Name

3-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-4-methyl-7-[(2,3,4,5,6-pentamethylphenyl)methoxy]-2H-chromen-2-one

IUPAC name

3-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-4-methyl-7-[(23456-pentamethylphenyl)methoxy]-2H-chromen-2-one

SMILES

Cc1c(C)c(C)c(COc(cc2)cc(O3)c2C(C)=C(CCC(N(CC2)CC(CCCC4)C24O)=O)C3=O)c(C)c1C

InChI

InChI=1S/C34H43NO5/c1-20-21(2)23(4)30(24(5)22(20)3)19-39-27-10-11-28-25(6)29(33(37)40-31(28)17-27)12-13-32(36)35-16-15-34(38)14-8-7-9-26(34)18-35/h10-11,17,26,38H,7-9,12-16,18-19H2,1-6H3

InChI Key

PYXVXNMJAKYMSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10040858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.775

Distribution Coefficient, logD

6.775

Water Solubility, LogSw

-5.49

Polar Surface Area

59.381

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

Y040-8561 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 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
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-8561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8561?
Check Price and Availability of Y040-8561, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-8561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8561
  • 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 Y040-8561 available by request