MCULE-8315617292
- 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 | 39 USD | 90 | 22 working days | Get Quote |
| 5 mg | 57 USD | 90 | 22 working days | Get Quote |
| 10 mg | 72 USD | 90 | 22 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-8315617292.sdf |
| SMILES | MCULE-8315617292.smiles |
| Standard InChI | MCULE-8315617292.inchi |
| InChIKey | MCULE-8315617292.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-894614177 | 95 | As is | in stock |
| P-851692169 | N/A | As is | by synthesis |
| P-596433485 | 90 | As is | 40 mg |
| P-590906443 | 97 | As is | by synthesis |
| P-890223726 | 90 | As is | 1000 mg |
| P-890203327 | 90 | As is | 1000 mg |
| P-864023858 | 95 | As is | by synthesis |
| P-856063413 | 95 | As is | in stock |
| P-19510234 | 90 | As is | in stock |
| P-12585393 | 90 | As is | 263 mg |
| P-903654696 | 94 | As is | by resynthesis (? - ? days) |
| P-33172956 | 90 | As is | 10 mg |
| P-855217437 | 90 | As is | in stock |
| P-1402881 | 90 | As is | 206 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 241.284 |
| logP | 3.4088 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 30.49 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 71.2637 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 15 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

