P636-0425 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound P636-0425
N-[2-(azepan-1-yl)ethyl]-1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
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
P636-0425
Molecular Formula
C25H35N5O2 (C25 H35 N5 O2)
Compound Name
N-[2-(azepan-1-yl)ethyl]-1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
IUPAC name
N-[2-(azepan-1-yl)ethyl]-1-(1-benzyl-6-oxo-16-dihydropyridazin-4-yl)piperidine-4-carboxamide
SMILES
O=C(C(CC1)CCN1C(C=NN1Cc2ccccc2)=CC1=O)NCCN1CCCCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
437.59
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.427
Distribution Coefficient, logD
0.644
Water Solubility, LogSw
-2.69
Polar Surface Area
61.062
Acid Dissociation Constant (pKa)
13.35
Base Dissociation Constant (pKb)
9.18
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
56.00
P636-0425 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
SmartTM Library (51161 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Hemic and lymphatic
- Cardiovascular
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- GPCR
- Proteases
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with P636-0425 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)