Y041-5653 Screening compound: 6-(3-methoxyphenyl)-2-{[4-(2-pyridyl)piperazino]methyl}-3(2H)-pyridazinone

Y041-5653 Screening compound: 6-(3-methoxyphenyl)-2-{[4-(2-pyridyl)piperazino]methyl}-3(2H)-pyridazinone
Y041-5653 Screening compound: 6-(3-methoxyphenyl)-2-{[4-(2-pyridyl)piperazino]methyl}-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5653
6-(3-methoxyphenyl)-2-{[4-(2-pyridyl)piperazino]methyl}-3(2H)-pyridazinone

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

Y041-5653

Molecular Formula

C21H23N5O2 (C21 H23 N5 O2)

Compound Name

6-(3-methoxyphenyl)-2-{[4-(2-pyridyl)piperazino]methyl}-3(2H)-pyridazinone

IUPAC name

6-(3-methoxyphenyl)-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-23-dihydropyridazin-3-one

SMILES

COc1cccc(C(C=C2)=NN(CN(CC3)CCN3c3ncccc3)C2=O)c1

InChI

InChI=1S/C21H23N5O2/c1-28-18-6-4-5-17(15-18)19-8-9-21(27)26(23-19)16-24-11-13-25(14-12-24)20-7-2-3-10-22-20/h2-10,15H,11-14,16H2,1H3

InChI Key

DBZUCUZPQNOAED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22203764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-3.23

Polar Surface Area

53.289

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y041-5653 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-5653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5653?
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What is the minimum amount of Y041-5653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5653
  • 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 Y041-5653 available by request