Y040-1833 Screening compound: 3,4,7-trimethyl-5-(2-oxo-2-phenylethoxy)-2H-chromen-2-one

Y040-1833 Screening compound: 3,4,7-trimethyl-5-(2-oxo-2-phenylethoxy)-2H-chromen-2-one
Y040-1833 Screening compound: 3,4,7-trimethyl-5-(2-oxo-2-phenylethoxy)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1833
3,4,7-trimethyl-5-(2-oxo-2-phenylethoxy)-2H-chromen-2-one

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

Y040-1833

Molecular Formula

C20H18O4 (C20 H18 O4)

Compound Name

3,4,7-trimethyl-5-(2-oxo-2-phenylethoxy)-2H-chromen-2-one

IUPAC name

347-trimethyl-5-(2-oxo-2-phenylethoxy)-2H-chromen-2-one

SMILES

Cc1cc(OC(C(C)=C2C)=O)c2c(OCC(c2ccccc2)=O)c1

InChI

InChI=1S/C20H18O4/c1-12-9-17(23-11-16(21)15-7-5-4-6-8-15)19-13(2)14(3)20(22)24-18(19)10-12/h4-10H,11H2,1-3H3

InChI Key

AJKMPXMACDFQRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04023670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-4.39

Polar Surface Area

41.721

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y040-1833 in Drug Discovery

Included in Screening Libraries

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 Y040-1833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1833?
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What is the minimum amount of Y040-1833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1833
  • 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 Y040-1833 available by request