Y040-9259 Screening compound: N-(1-benzylpiperidin-4-yl)-2-[3-(3-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

Y040-9259 Screening compound: N-(1-benzylpiperidin-4-yl)-2-[3-(3-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide
Y040-9259 Screening compound: N-(1-benzylpiperidin-4-yl)-2-[3-(3-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9259
N-(1-benzylpiperidin-4-yl)-2-[3-(3-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

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

Y040-9259

Molecular Formula

C25H28N4O3 (C25 H28 N4 O3)

Compound Name

N-(1-benzylpiperidin-4-yl)-2-[3-(3-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-2-[3-(3-methoxyphenyl)-6-oxo-16-dihydropyridazin-1-yl]acetamide

SMILES

COc1cccc(C(C=C2)=NN(CC(NC3CCN(Cc4ccccc4)CC3)=O)C2=O)c1

InChI

InChI=1S/C25H28N4O3/c1-32-22-9-5-8-20(16-22)23-10-11-25(31)29(27-23)18-24(30)26-21-12-14-28(15-13-21)17-19-6-3-2-4-7-19/h2-11,16,21H,12-15,17-18H2,1H3,(H,26,30)

InChI Key

BIURMVWYGBCROT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16626709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.734

Distribution Coefficient, logD

1.177

Water Solubility, LogSw

-3.23

Polar Surface Area

63.829

Acid Dissociation Constant (pKa)

16.80

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

Y040-9259 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-9259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9259?
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What is the minimum amount of Y040-9259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9259
  • 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 Y040-9259 available by request