Y041-5272 Screening compound: N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-2-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

Y041-5272 Screening compound: N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-2-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide
Y041-5272 Screening compound: N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-2-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5272
N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-2-[3-(4-chlorophenyl)-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

Y041-5272

Molecular Formula

C20H20ClN3O2 (C20 H20 ClN3 O2)

Compound Name

N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-2-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

IUPAC name

N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-2-[3-(4-chlorophenyl)-6-oxo-16-dihydropyridazin-1-yl]acetamide

SMILES

O=C(CN(C(C=C1)=O)N=C1c(cc1)ccc1Cl)NCC(C1)C2C=CC1C2

InChI

InChI=1S/C20H20ClN3O2/c21-17-5-3-14(4-6-17)18-7-8-20(26)24(23-18)12-19(25)22-11-16-10-13-1-2-15(16)9-13/h1-8,13,15-16H,9-12H2,(H,22,25)

InChI Key

IWJKHKSYGDAMQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18799609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.370

Distribution Coefficient, logD

3.370

Water Solubility, LogSw

-3.88

Polar Surface Area

53.864

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

35.00

Y041-5272 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y041-5272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5272?
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What is the minimum amount of Y041-5272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5272
  • 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 Y041-5272 available by request