Y041-1468 Screening compound: ethyl 2-{[3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl]oxy}-2-phenylacetate

Y041-1468 Screening compound: ethyl 2-{[3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl]oxy}-2-phenylacetate
Y041-1468 Screening compound: ethyl 2-{[3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl]oxy}-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1468
ethyl 2-{[3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-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

Y041-1468

Molecular Formula

C24H24O7 (C24 H24 O7)

Compound Name

ethyl 2-{[3-(2-methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl]oxy}-2-phenylacetate

IUPAC name

ethyl 2-{[3-(2-methoxy-2-oxoethyl)-47-dimethyl-2-oxo-2H-chromen-5-yl]oxy}-2-phenylacetate

SMILES

CCOC(C(c1ccccc1)Oc1cc(C)cc(O2)c1C(C)=C(CC(OC)=O)C2=O)=O

InChI

InChI=1S/C24H24O7/c1-5-29-24(27)22(16-9-7-6-8-10-16)30-18-11-14(2)12-19-21(18)15(3)17(23(26)31-19)13-20(25)28-4/h6-12,22H,5,13H2,1-4H3/t22-/m1/s1

InChI Key

ZUFUPTDWEIXYSH-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05997264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.68

Polar Surface Area

69.083

Acid Dissociation Constant (pKa)

20.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

Y041-1468 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-1468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1468?
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What is the minimum amount of Y041-1468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1468
  • 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 Y041-1468 available by request