P257-0357 Screening compound: N-[(3-chlorophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound P257-0357
N-[(3-chlorophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-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
P257-0357
Molecular Formula
C21H26ClN5O (C21 H26 ClN5 O)
Compound Name
N-[(3-chlorophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
IUPAC name
N-[(3-chlorophenyl)methyl]-1-[4-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
SMILES
O=C(C(CC1)CCN1c1c(N2CCCC2)ncnc1)NCc1cccc(Cl)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
399.92
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.144
Distribution Coefficient, logD
3.071
Water Solubility, LogSw
-3.36
Polar Surface Area
51.835
Acid Dissociation Constant (pKa)
12.56
Base Dissociation Constant (pKb)
6.66
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
47.60
P257-0357 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
CORONAVIRUS Library (20774 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cyclic compounds
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with P257-0357 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)