Y041-1779 Screening compound: ethyl 3-{7-[(4-ethenylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate

Y041-1779 Screening compound: ethyl 3-{7-[(4-ethenylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
Y041-1779 Screening compound: ethyl 3-{7-[(4-ethenylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1779
ethyl 3-{7-[(4-ethenylphenyl)methoxy]-4-methyl-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

Y041-1779

Molecular Formula

C24H24O5 (C24 H24 O5)

Compound Name

ethyl 3-{7-[(4-ethenylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate

IUPAC name

ethyl 3-{7-[(4-ethenylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate

SMILES

CCOC(CCC1=C(C)c(ccc(OCc2ccc(C=C)cc2)c2)c2OC1=O)=O

InChI

InChI=1S/C24H24O5/c1-4-17-6-8-18(9-7-17)15-28-19-10-11-20-16(3)21(12-13-23(25)27-5-2)24(26)29-22(20)14-19/h4,6-11,14H,1,5,12-13,15H2,2-3H3

InChI Key

NATCZIDISJVTRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03853593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.976

Distribution Coefficient, logD

4.976

Water Solubility, LogSw

-4.89

Polar Surface Area

48.546

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y041-1779 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-1779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1779?
Check Price and Availability of Y041-1779, 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 Y041-1779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1779
  • 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 Y041-1779 available by request