Y040-7728 Screening compound: 3-benzyl-6-chloro-7-[(3-methoxyphenyl)methoxy]-4-methyl-2H-chromen-2-one

Y040-7728 Screening compound: 3-benzyl-6-chloro-7-[(3-methoxyphenyl)methoxy]-4-methyl-2H-chromen-2-one
Y040-7728 Screening compound: 3-benzyl-6-chloro-7-[(3-methoxyphenyl)methoxy]-4-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7728
3-benzyl-6-chloro-7-[(3-methoxyphenyl)methoxy]-4-methyl-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

Y040-7728

Molecular Formula

C25H21ClO4 (C25 H21 ClO4)

Compound Name

3-benzyl-6-chloro-7-[(3-methoxyphenyl)methoxy]-4-methyl-2H-chromen-2-one

IUPAC name

3-benzyl-6-chloro-7-[(3-methoxyphenyl)methoxy]-4-methyl-2H-chromen-2-one

SMILES

CC(c(c(O1)c2)cc(Cl)c2OCc2cc(OC)ccc2)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C25H21ClO4/c1-16-20-13-22(26)24(29-15-18-9-6-10-19(11-18)28-2)14-23(20)30-25(27)21(16)12-17-7-4-3-5-8-17/h3-11,13-14H,12,15H2,1-2H3

InChI Key

FABQQULVVQPZQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04027845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.601

Distribution Coefficient, logD

6.601

Water Solubility, LogSw

-6.26

Polar Surface Area

35.747

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

Y040-7728 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y040-7728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7728?
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What is the minimum amount of Y040-7728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7728
  • 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 Y040-7728 available by request