Y040-0609 Screening compound: ethyl 3-{4,8-dimethyl-2-oxo-7-[(2-oxocyclohexyl)oxy]-2H-chromen-3-yl}propanoate

Y040-0609 Screening compound: ethyl 3-{4,8-dimethyl-2-oxo-7-[(2-oxocyclohexyl)oxy]-2H-chromen-3-yl}propanoate
Y040-0609 Screening compound: ethyl 3-{4,8-dimethyl-2-oxo-7-[(2-oxocyclohexyl)oxy]-2H-chromen-3-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0609
ethyl 3-{4,8-dimethyl-2-oxo-7-[(2-oxocyclohexyl)oxy]-2H-chromen-3-yl}propanoate

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

Y040-0609

Molecular Formula

C22H26O6 (C22 H26 O6)

Compound Name

ethyl 3-{4,8-dimethyl-2-oxo-7-[(2-oxocyclohexyl)oxy]-2H-chromen-3-yl}propanoate

IUPAC name

ethyl 3-{48-dimethyl-2-oxo-7-[(2-oxocyclohexyl)oxy]-2H-chromen-3-yl}propanoate

SMILES

CCOC(CCC1=C(C)c(ccc(OC(CCCC2)C2=O)c2C)c2OC1=O)=O

InChI

InChI=1S/C22H26O6/c1-4-26-20(24)12-10-16-13(2)15-9-11-18(14(3)21(15)28-22(16)25)27-19-8-6-5-7-17(19)23/h9,11,19H,4-8,10,12H2,1-3H3/t19-/m0/s1

InChI Key

CPTLPVIBFBVMNO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03854285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.909

Distribution Coefficient, logD

3.909

Water Solubility, LogSw

-3.99

Polar Surface Area

60.734

Acid Dissociation Constant (pKa)

19.77

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y040-0609 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0609?
Check Price and Availability of Y040-0609, 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 Y040-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0609
  • 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 Y040-0609 available by request