P392-0052 Screening compound: 2-({1-[2-(4-chlorophenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}oxy)-N~3~,N~3~-dimethylnicotinamide
Chemical Structure Depiction of ChemDiv screening compound P392-0052
2-({1-[2-(4-chlorophenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}oxy)-N~3~,N~3~-dimethylnicotinamide
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
P392-0052
Molecular Formula
C20H22ClN3O3 (C20 H22 ClN3 O3)
Compound Name
2-({1-[2-(4-chlorophenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}oxy)-N~3~,N~3~-dimethylnicotinamide
IUPAC name
2-({1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-yl}oxy)-NN-dimethylpyridine-3-carboxamide
SMILES
CN(C)C(c1cccnc1OC(CC1)CN1C(Cc(cc1)ccc1Cl)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
387.87
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.851
Distribution Coefficient, logD
1.851
Water Solubility, LogSw
-2.84
Polar Surface Area
48.726
Acid Dissociation Constant (pKa)
17.74
Base Dissociation Constant (pKb)
0.57
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
35.00
P392-0052 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-Aging Library (44940 compounds)
Ligand-Gated Ion Channels Library (3887 compounds)
PI3K-Targeted Library (17255 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Nervous system
- Eye
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- Epigenetic
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
- Ion Channels
- Kinases
- Mimetics
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with P392-0052 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)