P392-0031 Screening compound: 2-{[1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyridine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound P392-0031
2-{[1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyridine-3-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
P392-0031
Molecular Formula
C21H25N3O5 (C21 H25 N3 O5)
Compound Name
2-{[1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyridine-3-carboxamide
IUPAC name
2-{[1-(24-dimethoxybenzoyl)pyrrolidin-3-yl]oxy}-NN-dimethylpyridine-3-carboxamide
SMILES
CN(C)C(c1cccnc1OC(CC1)CN1C(c(ccc(OC)c1)c1OC)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
399.45
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.028
Distribution Coefficient, logD
1.028
Water Solubility, LogSw
-2.11
Polar Surface Area
64.428
Acid Dissociation Constant (pKa)
25.07
Base Dissociation Constant (pKb)
0.57
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
38.10
P392-0031 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 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)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Nervous system
- Nervous system
- Eye
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- 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 P392-0031 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of P392-0031, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)