Y040-0930 Screening compound: ethyl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-2-phenylacetate

Y040-0930 Screening compound: ethyl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-2-phenylacetate
Y040-0930 Screening compound: ethyl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0930
ethyl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-2-phenylacetate

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

Y040-0930

Molecular Formula

C25H20O5 (C25 H20 O5)

Compound Name

ethyl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-2-phenylacetate

IUPAC name

ethyl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-2-phenylacetate

SMILES

CCOC(C(c1ccccc1)Oc(cc1)cc(O2)c1C(c1ccccc1)=CC2=O)=O

InChI

InChI=1S/C25H20O5/c1-2-28-25(27)24(18-11-7-4-8-12-18)29-19-13-14-20-21(17-9-5-3-6-10-17)16-23(26)30-22(20)15-19/h3-16,24H,2H2,1H3/t24-/m1/s1

InChI Key

FQEDTIVZEGDPDJ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD02222121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.781

Distribution Coefficient, logD

4.781

Water Solubility, LogSw

-4.63

Polar Surface Area

47.632

Acid Dissociation Constant (pKa)

20.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

Y040-0930 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y040-0930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0930?
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What is the minimum amount of Y040-0930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0930
  • 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 Y040-0930 available by request