Y041-3846 Screening compound: 4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-5,7,8-trimethyl-2H-chromen-2-one

Y041-3846 Screening compound: 4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-5,7,8-trimethyl-2H-chromen-2-one
Y041-3846 Screening compound: 4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-5,7,8-trimethyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3846
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-5,7,8-trimethyl-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

Y041-3846

Molecular Formula

C25H28N2O4 (C25 H28 N2 O4)

Compound Name

4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-5,7,8-trimethyl-2H-chromen-2-one

IUPAC name

4-({4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-578-trimethyl-2H-chromen-2-one

SMILES

Cc(cc1C)c(C)c(O2)c1C(CN1CCN(Cc(cc3)cc4c3OCO4)CC1)=CC2=O

InChI

InChI=1S/C25H28N2O4/c1-16-10-17(2)24-20(12-23(28)31-25(24)18(16)3)14-27-8-6-26(7-9-27)13-19-4-5-21-22(11-19)30-15-29-21/h4-5,10-12H,6-9,13-15H2,1-3H3

InChI Key

RURGSMZFQYJSPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05694758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

2.607

Water Solubility, LogSw

-4.17

Polar Surface Area

44.718

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y041-3846 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-3846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3846?
Check Price and Availability of Y041-3846, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-3846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3846
  • 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 Y041-3846 available by request