Y043-2834 Screening compound: 2-{[4-(2-pyrimidinyl)piperazino]methyl}-2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one

Y043-2834 Screening compound: 2-{[4-(2-pyrimidinyl)piperazino]methyl}-2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one
Y043-2834 Screening compound: 2-{[4-(2-pyrimidinyl)piperazino]methyl}-2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-2834
2-{[4-(2-pyrimidinyl)piperazino]methyl}-2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-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

Y043-2834

Molecular Formula

C16H20N6O (C16 H20 N6 O)

Compound Name

2-{[4-(2-pyrimidinyl)piperazino]methyl}-2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one

IUPAC name

2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-2H3H5H6H7H-cyclopenta[c]pyridazin-3-one

SMILES

O=C1N(CN(CC2)CCN2c2ncccn2)N=C(CCC2)C2=C1

InChI

InChI=1S/C16H20N6O/c23-15-11-13-3-1-4-14(13)19-22(15)12-20-7-9-21(10-8-20)16-17-5-2-6-18-16/h2,5-6,11H,1,3-4,7-10,12H2

InChI Key

RIGYLSUAVLXEHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22202959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.278

Distribution Coefficient, logD

1.115

Water Solubility, LogSw

-1.43

Polar Surface Area

55.648

Acid Dissociation Constant (pKa)

20.58

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y043-2834 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 Y043-2834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-2834?
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What is the minimum amount of Y043-2834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-2834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-2834
  • 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 Y043-2834 available by request