Y043-2822 Screening compound: 2-({4-[(E)-3-phenyl-2-propenyl]piperazino}methyl)-6-(2-thienyl)-3(2H)-pyridazinone

Y043-2822 Screening compound: 2-({4-[(E)-3-phenyl-2-propenyl]piperazino}methyl)-6-(2-thienyl)-3(2H)-pyridazinone
Y043-2822 Screening compound: 2-({4-[(E)-3-phenyl-2-propenyl]piperazino}methyl)-6-(2-thienyl)-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-2822
2-({4-[(E)-3-phenyl-2-propenyl]piperazino}methyl)-6-(2-thienyl)-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

Y043-2822

Molecular Formula

C22H24N4OS (C22 H24 N4 OS)

Compound Name

2-({4-[(E)-3-phenyl-2-propenyl]piperazino}methyl)-6-(2-thienyl)-3(2H)-pyridazinone

IUPAC name

2-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)-6-(thiophen-2-yl)-23-dihydropyridazin-3-one

SMILES

O=C(C=C1)N(CN2CCN(C/C=C/c3ccccc3)CC2)N=C1c1cccs1

InChI

InChI=1S/C22H24N4OS/c27-22-11-10-20(21-9-5-17-28-21)23-26(22)18-25-15-13-24(14-16-25)12-4-8-19-6-2-1-3-7-19/h1-11,17H,12-16,18H2

InChI Key

USCXZLDBFVFEHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22203132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.680

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-4.06

Polar Surface Area

38.511

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

Y043-2822 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-2822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-2822?
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What is the minimum amount of Y043-2822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-2822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-2822
  • 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 Y043-2822 available by request