MCULE-2868169791
- 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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-2868169791.sdf |
| SMILES | MCULE-2868169791.smiles |
| Standard InChI | MCULE-2868169791.inchi |
| InChIKey | MCULE-2868169791.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852069412 | 95 | As is | by synthesis |
| P-901183603 | N/A | As is | by synthesis |
| P-615716600 | 95 | As is | in stock |
| P-851822434 | N/A | As is | by synthesis |
| P-901350871 | 95 | As is | by synthesis |
| P-591127468 | 95 | As is | by synthesis |
| P-454646635 | 90 | As is | in stock |
| P-436453466 | 95 | As is | 20 g |
| P-861530208 | 95 | As is | by synthesis |
| P-502534714 | 95 | As is | by synthesis |
| P-855972049 | 95 | As is | 10 g |
| P-31252952 | 90 | As is | unavailable |
| P-852407268 | N/A | As is | in stock |
| P-869036318 | 95 | As is | by synthesis |
| P-885536349 | 95 | As is | by synthesis |
| P-873220034 | 90 | As is | in stock |
| P-855348873 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 149.232 |
| logP | 2.8899 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.3277 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 15 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |

