M116-0787 Screening compound: 4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
Chemical Structure Depiction of ChemDiv screening compound M116-0787
4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
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
M116-0787
Molecular Formula
C25H29N3O4 (C25 H29 N3 O4)
Compound Name
4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
IUPAC name
4-[(4-cyclopentyl-23-dioxopiperazin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILES
COc1ccc(CNC(c2ccc(CN(CCN(C3CCCC3)C3=O)C3=O)cc2)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
435.52
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.482
Distribution Coefficient, logD
2.482
Water Solubility, LogSw
-2.74
Polar Surface Area
64.994
Acid Dissociation Constant (pKa)
12.60
Base Dissociation Constant (pKb)
2.87
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.00
M116-0787 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
Protein-Protein Interaction Library (218420 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with M116-0787 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)