Interaction Scheme
Molecule
2,3-diazabicyclo[3.2.2]non-2-ene
Host
sCx4
c = 0.0 — 8000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 950.0 | ± 95.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -17.0 | ± 0.25 | -4.06 | ± 0.06 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Deuterium Oxide |
| pH | 7.4 |
Please find here information about the dataset this interaction is part of.
| Citation: |
W. M. Nau, H. Bakirci, A. L. Koner, SupraBank 2024, Spherical Shape Complementarity as an Overriding Motif in the Molecular Recognition of Noncharged Organic Guests by p-Sulfonatocalix[4]arene: Complexation of Bicyclic Azoalkanes (dataset). https://doi.org/10.34804/supra.20210928335 |
| Link: | https://doi.org/10.34804/supra.20210928335 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
H. Bakirci, A. L. Koner, W. M. Nau, J. Org. Chem. 2005, 70, 9960–9966. |
| Link: | https://doi.org/10.1021/jo051689z |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,3-diazabicyclo[3.2.2]non-2-ene (0.021052631578947368 M) and sCx4 (0 — 0.042105263157894736 M).
Please sign in: customize the simulation by signing in to the SupraBank.
