Y043-2826 Screening compound: 6-[4-(methylsulfanyl)phenyl]-2-{[4-(2-pyridyl)piperazino]methyl}-3(2H)-pyridazinone

Y043-2826 Screening compound: 6-[4-(methylsulfanyl)phenyl]-2-{[4-(2-pyridyl)piperazino]methyl}-3(2H)-pyridazinone
Y043-2826 Screening compound: 6-[4-(methylsulfanyl)phenyl]-2-{[4-(2-pyridyl)piperazino]methyl}-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-2826
6-[4-(methylsulfanyl)phenyl]-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

Y043-2826

Molecular Formula

C21H23N5OS (C21 H23 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CSc(cc1)ccc1C(C=C1)=NN(CN(CC2)CCN2c2ncccc2)C1=O

InChI

InChI=1S/C21H23N5OS/c1-28-18-7-5-17(6-8-18)19-9-10-21(27)26(23-19)16-24-12-14-25(15-13-24)20-4-2-3-11-22-20/h2-11H,12-16H2,1H3

InChI Key

XJDJMUKLADLHPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22202630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-4.02

Polar Surface Area

45.745

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y043-2826 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y043-2826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-2826?
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What is the minimum amount of Y043-2826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-2826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-2826
  • 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 Y043-2826 available by request