Y043-3195 Screening compound: 2-{[4-(methylsulfonyl)piperazino]methyl}-6-(1-naphthyl)-3(2H)-pyridazinone

Y043-3195 Screening compound: 2-{[4-(methylsulfonyl)piperazino]methyl}-6-(1-naphthyl)-3(2H)-pyridazinone
Y043-3195 Screening compound: 2-{[4-(methylsulfonyl)piperazino]methyl}-6-(1-naphthyl)-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-3195
2-{[4-(methylsulfonyl)piperazino]methyl}-6-(1-naphthyl)-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

Y043-3195

Molecular Formula

C20H22N4O3S (C20 H22 N4 O3 S)

Compound Name

2-{[4-(methylsulfonyl)piperazino]methyl}-6-(1-naphthyl)-3(2H)-pyridazinone

IUPAC name

2-[(4-methanesulfonylpiperazin-1-yl)methyl]-6-(naphthalen-1-yl)-23-dihydropyridazin-3-one

SMILES

CS(N1CCN(CN(C(C=C2)=O)N=C2c2cccc3ccccc23)CC1)(=O)=O

InChI

InChI=1S/C20H22N4O3S/c1-28(26,27)23-13-11-22(12-14-23)15-24-20(25)10-9-19(21-24)18-8-4-6-16-5-2-3-7-17(16)18/h2-10H,11-15H2,1H3

InChI Key

GYONKLLSMISKHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22584371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.987

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-2.79

Polar Surface Area

64.985

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

Y043-3195 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 Y043-3195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-3195?
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What is the minimum amount of Y043-3195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-3195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-3195
  • 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 Y043-3195 available by request