P933-1592 Screening compound: [2-benzyl-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanol
Chemical Structure Depiction of ChemDiv screening compound P933-1592
[2-benzyl-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanol
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
P933-1592
Molecular Formula
C18H20N2O2 (C18 H20 N2 O2)
Compound Name
[2-benzyl-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanol
IUPAC name
[2-benzyl-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanol
SMILES
OCC(Cc1ccccc1)(CCC1)N1C(c1ncccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
296.37
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.278
Distribution Coefficient, logD
2.278
Water Solubility, LogSw
-2.12
Polar Surface Area
42.986
Acid Dissociation Constant (pKa)
16.52
Base Dissociation Constant (pKb)
1.17
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
33.30
P933-1592 in Drug Discovery
Included in Screening Libraries
3D Mimetics PPI Library (1617 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiparasite Library (23996 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
GPCR Targeted Library (31838 compounds)
Immunological Library (6760 compounds)
Protein-Protein Interaction Library (218420 compounds)
Anti-HIV1 Library (19540 compounds)
Epigenetics Focused Set (26518 compounds)
Ion Channels Focused Library (26372 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Mimetics
- 3D
- Infections
- Immune system
- animal
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Immune system
- Antiviral
- Infections
- Immune system
- Nervous system
- Cardiovascular
- Agro
- Agro
- GPCR
- Ion Channels
- Receptor's ligands
- PPI modulators
References: we are preparing a list of scientific research reports with P933-1592 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)