Y040-7726 Screening compound: methyl 4-{[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoate

Y040-7726 Screening compound: methyl 4-{[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoate
Y040-7726 Screening compound: methyl 4-{[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7726
methyl 4-{[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoate

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

Y040-7726

Molecular Formula

C26H21ClO5 (C26 H21 ClO5)

Compound Name

methyl 4-{[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoate

IUPAC name

methyl 4-{[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoate

SMILES

CC(c(c(O1)c2)cc(Cl)c2OCc(cc2)ccc2C(OC)=O)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C26H21ClO5/c1-16-20-13-22(27)24(31-15-18-8-10-19(11-9-18)25(28)30-2)14-23(20)32-26(29)21(16)12-17-6-4-3-5-7-17/h3-11,13-14H,12,15H2,1-2H3

InChI Key

DCQDQHIAXAEROC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03712958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.9

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

6.586

Distribution Coefficient, logD

6.586

Water Solubility, LogSw

-6.14

Polar Surface Area

49.377

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

Y040-7726 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-7726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7726?
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What is the minimum amount of Y040-7726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7726
  • 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 Y040-7726 available by request