Y041-2706 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4H-chromen-4-one

Y041-2706 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4H-chromen-4-one
Y041-2706 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2706
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-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

Y041-2706

Molecular Formula

C24H26N2O5 (C24 H26 N2 O5)

Compound Name

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4H-chromen-4-one

IUPAC name

3-(23-dihydro-14-benzodioxin-6-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4H-chromen-4-one

SMILES

CCN1CCN(Cc(c(OC=C2c(cc3)cc4c3OCCO4)c(cc3)C2=O)c3O)CC1

InChI

InChI=1S/C24H26N2O5/c1-2-25-7-9-26(10-8-25)14-18-20(27)5-4-17-23(28)19(15-31-24(17)18)16-3-6-21-22(13-16)30-12-11-29-21/h3-6,13,15,27H,2,7-12,14H2,1H3

InChI Key

GPUCVLWFGMXDQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04171661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.802

Distribution Coefficient, logD

0.871

Water Solubility, LogSw

-2.86

Polar Surface Area

60.185

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

Y041-2706 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y041-2706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2706?
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What is the minimum amount of Y041-2706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2706
  • 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 Y041-2706 available by request