Y040-4169 Screening compound: 5-[2-(4-chlorophenyl)-2-oxoethoxy]-4,7-dimethyl-2H-chromen-2-one

Y040-4169 Screening compound: 5-[2-(4-chlorophenyl)-2-oxoethoxy]-4,7-dimethyl-2H-chromen-2-one
Y040-4169 Screening compound: 5-[2-(4-chlorophenyl)-2-oxoethoxy]-4,7-dimethyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4169
5-[2-(4-chlorophenyl)-2-oxoethoxy]-4,7-dimethyl-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

Y040-4169

Molecular Formula

C19H15ClO4 (C19 H15 ClO4)

Compound Name

5-[2-(4-chlorophenyl)-2-oxoethoxy]-4,7-dimethyl-2H-chromen-2-one

IUPAC name

5-[2-(4-chlorophenyl)-2-oxoethoxy]-47-dimethyl-2H-chromen-2-one

SMILES

Cc1cc(OCC(c(cc2)ccc2Cl)=O)c(C(C)=CC(O2)=O)c2c1

InChI

InChI=1S/C19H15ClO4/c1-11-7-16(19-12(2)9-18(22)24-17(19)8-11)23-10-15(21)13-3-5-14(20)6-4-13/h3-9H,10H2,1-2H3

InChI Key

QXKOJYJPHQCHIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06439093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.78

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

4.187

Distribution Coefficient, logD

4.187

Water Solubility, LogSw

-4.80

Polar Surface Area

41.207

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

Y040-4169 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 Y040-4169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4169?
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What is the minimum amount of Y040-4169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4169
  • 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 Y040-4169 available by request