M116-1842 Screening compound: 4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-cyclopentylbenzamide
Chemical Structure Depiction of ChemDiv screening compound M116-1842
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-cyclopentylbenzamide
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
M116-1842
Molecular Formula
C24H27N3O3 (C24 H27 N3 O3)
Compound Name
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-cyclopentylbenzamide
IUPAC name
4-[(4-benzyl-23-dioxopiperazin-1-yl)methyl]-N-cyclopentylbenzamide
SMILES
O=C(c1ccc(CN(CCN(Cc2ccccc2)C2=O)C2=O)cc1)NC1CCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
405.5
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.488
Distribution Coefficient, logD
2.488
Water Solubility, LogSw
-2.71
Polar Surface Area
57.788
Acid Dissociation Constant (pKa)
14.73
Base Dissociation Constant (pKb)
-1.65
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
37.50
M116-1842 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Cancer
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with M116-1842 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)