Y041-5293 Screening compound: N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

Y041-5293 Screening compound: N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide
Y041-5293 Screening compound: N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5293
N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-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

Y041-5293

Molecular Formula

C19H25N3O2 (C19 H25 N3 O2)

Compound Name

N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

IUPAC name

N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-2-{3-oxo-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-2-yl}acetamide

SMILES

O=C(CN1N=C(CCCCC2)C2=CC1=O)NCC(C1)C2C=CC1C2

InChI

InChI=1S/C19H25N3O2/c23-18(20-11-16-9-13-6-7-14(16)8-13)12-22-19(24)10-15-4-2-1-3-5-17(15)21-22/h6-7,10,13-14,16H,1-5,8-9,11-12H2,(H,20,23)

InChI Key

CNWYMXRVLBUUON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19708821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.390

Distribution Coefficient, logD

2.390

Water Solubility, LogSw

-2.59

Polar Surface Area

53.880

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

63.20

Y041-5293 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 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

References: we are preparing a list of scientific research reports with Y041-5293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5293?
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What is the minimum amount of Y041-5293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5293
  • 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 Y041-5293 available by request