MCULE-5206416172
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 11 USD | N/A | 9 working days | Get Quote |
| 5 mg | 11 USD | N/A | 9 working days | Get Quote |
| 10 mg | 11 USD | N/A | 9 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
1
MCULE-1504058191
- Component type: Main
-
1
MCULE-6475627950
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5206416172.sdf |
| SMILES | MCULE-5206416172.smiles |
| Standard InChI | MCULE-5206416172.inchi |
| InChIKey | MCULE-5206416172.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-905477184 | 95 | As is | 1000 g |
| P-606889757 | N/A | As is | in stock |
| P-872723569 | 98 | As is | in stock |
| P-579791085 | 95 | As is | unavailable |
| P-864085132 | 95 | As is | in stock |
| P-893235577 | 95 | As is | in stock |
| P-893239811 | 95 | As is | in stock |
| P-851260660 | 95 | As is | by synthesis |
| P-868649642 | 98 | As is | in stock |
| P-580407927 | 95 | As is | by resynthesis (? - ? days) |
| P-905328887 | 98 | As is | 3.6 kg |
| P-861924562 | 98 | As is | 59.3906 kg |
| P-608220048 | 98 | As is | in stock |
| P-505509792 | 95 | As is | in stock |
| P-580093222 | N/A | As is | in stock |
| P-608081413 | 98 | As is | 1000 g |
| P-613284750 | 95 | As is | by synthesis |
| P-860787468 | 98 | As is | by synthesis |
| P-852443385 | N/A | As is | in stock |
| P-500403988 | 98 | As is | by synthesis |
| P-889870474 | 95 | As is | by synthesis |
| P-613817175 | 95 | As is | in stock |
| P-611384230 | 90 | As is | in stock |
| P-615391847 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 520.393 |
| logP | 6.021 |
| H-bond acceptors | 7 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 76.84 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 129.542 |
| Atoms | 61 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 28 |
| Heteroatoms | 15 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

