P391-0972 Screening compound: 2-[(1-methyl-4-piperidyl)oxy]-N~3~-(2-pyridyl)nicotinamide
Chemical Structure Depiction of ChemDiv screening compound P391-0972
2-[(1-methyl-4-piperidyl)oxy]-N~3~-(2-pyridyl)nicotinamide
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
P391-0972
Molecular Formula
C17H20N4O2 (C17 H20 N4 O2)
Compound Name
2-[(1-methyl-4-piperidyl)oxy]-N~3~-(2-pyridyl)nicotinamide
IUPAC name
2-[(1-methylpiperidin-4-yl)oxy]-N-(pyridin-2-yl)pyridine-3-carboxamide
SMILES
CN(CC1)CCC1Oc(nccc1)c1C(Nc1ncccc1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
312.37
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.755
Distribution Coefficient, logD
-0.365
Water Solubility, LogSw
-2.40
Polar Surface Area
52.680
Acid Dissociation Constant (pKa)
7.68
Base Dissociation Constant (pKb)
9.52
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.29
P391-0972 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Ligand-Gated Ion Channels Library (3887 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Nervous system
- Eye
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- Ion Channels
- Kinases
- PPI modulators
- Epigenetic
References: we are preparing a list of scientific research reports with P391-0972 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)