MCULE-8078782015
- 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 | 28 USD | 92 | 18 working days | Get Quote |
| 5 mg | 43 USD | 92 | 18 working days | Get Quote |
| 10 mg | 54 USD | 92 | 18 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.
| Name | File |
|---|---|
| SDF | MCULE-8078782015.sdf |
| SMILES | MCULE-8078782015.smiles |
| Standard InChI | MCULE-8078782015.inchi |
| InChIKey | MCULE-8078782015.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886569568 | 95 | As is | in stock |
| P-893595211 | 90 | As is | 63.842 g |
| P-887311754 | N/A | As is | in stock |
| P-895920690 | 95 | As is | by resynthesis (? - ? days) |
| P-596415050 | 90 | As is | 2 mg |
| P-896040256 | 95 | As is | by synthesis |
| P-890247104 | 98 | As is | 1000 mg |
| P-4315766 | 90 | As is | 89 mg |
| P-889037067 | 95 | As is | by synthesis |
| P-905407372 | 97 | As is | 8.612 g |
| P-13923851 | 95 | As is | 300 mg |
| P-13435154 | 92 | As is | 300 mg |
| P-868136676 | 90 | As is | in stock |
| P-873080848 | 94 | As is | by resynthesis (? - ? days) |
| P-906856571 | 98 | As is | by synthesis |
| P-578089671 | 90 | As is | 115 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 281.691 |
| logP | 4.0994 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 43.1 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 79.417 |
| Atoms | 28 |
| Rings | 4 |
| Heavy atoms | 20 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

