P238-1910 Screening compound: 1-ethyl-N-[(2-methoxyphenyl)methyl]-4-phenylazepane-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound P238-1910
1-ethyl-N-[(2-methoxyphenyl)methyl]-4-phenylazepane-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
P238-1910
Molecular Formula
C23H30N2O2 (C23 H30 N2 O2)
Compound Name
1-ethyl-N-[(2-methoxyphenyl)methyl]-4-phenylazepane-4-carboxamide
IUPAC name
1-ethyl-N-[(2-methoxyphenyl)methyl]-4-phenylazepane-4-carboxamide
SMILES
CCN(CCC1)CCC1(C(NCc(cccc1)c1OC)=O)c1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
366.5
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.699
Distribution Coefficient, logD
0.877
Water Solubility, LogSw
-3.83
Polar Surface Area
36.071
Acid Dissociation Constant (pKa)
11.69
Base Dissociation Constant (pKb)
10.22
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
43.48
P238-1910 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Others
- Epigenetic
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with P238-1910 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)