Y040-8538 Screening compound: 3-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-4,8-dimethyl-7-[(2-methylnaphthalen-1-yl)methoxy]-2H-chromen-2-one

Y040-8538 Screening compound: 3-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-4,8-dimethyl-7-[(2-methylnaphthalen-1-yl)methoxy]-2H-chromen-2-one
Y040-8538 Screening compound: 3-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-4,8-dimethyl-7-[(2-methylnaphthalen-1-yl)methoxy]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8538
3-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-4,8-dimethyl-7-[(2-methylnaphthalen-1-yl)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

Y040-8538

Molecular Formula

C34H37NO5 (C34 H37 NO5)

Compound Name

3-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-4,8-dimethyl-7-[(2-methylnaphthalen-1-yl)methoxy]-2H-chromen-2-one

IUPAC name

3-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-48-dimethyl-7-[(2-methylnaphthalen-1-yl)methoxy]-2H-chromen-2-one

SMILES

Cc1c(COc(cc2)c(C)c(O3)c2C(C)=C(CC(N(CC2)CC(CCCC4)C24O)=O)C3=O)c2ccccc2cc1

InChI

InChI=1S/C34H37NO5/c1-21-11-12-24-8-4-5-10-27(24)29(21)20-39-30-14-13-26-22(2)28(33(37)40-32(26)23(30)3)18-31(36)35-17-16-34(38)15-7-6-9-25(34)19-35/h4-5,8,10-14,25,38H,6-7,9,15-20H2,1-3H3

InChI Key

VVZDEZMWLJCEFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10040835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.566

Distribution Coefficient, logD

6.566

Water Solubility, LogSw

-6.44

Polar Surface Area

58.880

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

Y040-8538 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y040-8538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8538?
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What is the minimum amount of Y040-8538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8538
  • 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 Y040-8538 available by request