Y041-1809 Screening compound: ethyl 3-{7-[(diethylcarbamoyl)methoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoate

Y041-1809 Screening compound: ethyl 3-{7-[(diethylcarbamoyl)methoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoate
Y041-1809 Screening compound: ethyl 3-{7-[(diethylcarbamoyl)methoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1809
ethyl 3-{7-[(diethylcarbamoyl)methoxy]-4,8-dimethyl-2-oxo-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

Y041-1809

Molecular Formula

C22H29NO6 (C22 H29 NO6)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(COc(cc1)c(C)c(O2)c1C(C)=C(CCC(OCC)=O)C2=O)=O

InChI

InChI=1S/C22H29NO6/c1-6-23(7-2)19(24)13-28-18-11-9-16-14(4)17(10-12-20(25)27-8-3)22(26)29-21(16)15(18)5/h9,11H,6-8,10,12-13H2,1-5H3

InChI Key

BJYLPCZINYCZTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03853457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.24

Polar Surface Area

63.994

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y041-1809 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-1809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1809?
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What is the minimum amount of Y041-1809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1809
  • 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 Y041-1809 available by request