Y041-2731 Screening compound: 7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(2-methoxyphenoxy)-2-methyl-4H-chromen-4-one

Y041-2731 Screening compound: 7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(2-methoxyphenoxy)-2-methyl-4H-chromen-4-one
Y041-2731 Screening compound: 7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(2-methoxyphenoxy)-2-methyl-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2731
7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(2-methoxyphenoxy)-2-methyl-4H-chromen-4-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

Y041-2731

Molecular Formula

C24H28N2O6 (C24 H28 N2 O6)

Compound Name

7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(2-methoxyphenoxy)-2-methyl-4H-chromen-4-one

IUPAC name

7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(2-methoxyphenoxy)-2-methyl-4H-chromen-4-one

SMILES

CC(Oc(c(CN1CCN(CCO)CC1)c(cc1)O)c1C1=O)=C1Oc(cccc1)c1OC

InChI

InChI=1S/C24H28N2O6/c1-16-23(32-21-6-4-3-5-20(21)30-2)22(29)17-7-8-19(28)18(24(17)31-16)15-26-11-9-25(10-12-26)13-14-27/h3-8,27-28H,9-15H2,1-2H3

InChI Key

WUEWTPLKUVRBAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04188254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.014

Water Solubility, LogSw

-2.75

Polar Surface Area

75.791

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

Y041-2731 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-2731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2731?
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What is the minimum amount of Y041-2731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2731
  • 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 Y041-2731 available by request