MCULE-5194474815
- 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 | 47 USD | 90 | 24 working days | Get Quote |
| 5 mg | 66 USD | 90 | 10 working days | Get Quote |
| 10 mg | 86 USD | 90 | 24 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.
-
MCULE-1277784881
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5194474815.sdf |
| SMILES | MCULE-5194474815.smiles |
| Standard InChI | MCULE-5194474815.inchi |
| InChIKey | MCULE-5194474815.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886287916 | 90 | As is | by synthesis |
| P-1265412841 | 90 | As is | by synthesis |
| P-894648863 | 95 | As is | by resynthesis (? - ? days) |
| P-851680916 | N/A | As is | by synthesis |
| P-611194313 | 90 | As is | by synthesis |
| P-4338331 | 90 | As is | 20 mg |
| P-131532 | 90 | As is | 4 mg |
| P-492237151 | 95 | As is | in stock |
| P-502721908 | 90 | As is | in stock |
| P-1275302450 | 90 | As is | 380 mg |
| P-18731021 | 90 | As is | 1.459 g |
| P-31243542 | 90 | As is | 500 mg |
| P-14234445 | 90 | As is | 10 mg |
| P-864023576 | 95 | As is | by synthesis |
| P-578154395 | 90 | As is | 100 mg |
| P-18936367 | 90 | As is | in stock |
| P-12500773 | 90 | As is | 48 mg |
| P-873235447 | 90 | As is | in stock |
| P-907250131 | 94 | As is | by resynthesis (? - ? days) |
| P-472844 | 90 | As is | 386 mg |
| P-502938951 | 90 | As a main component | in stock |
| P-1272979906 | 94 | As a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 315.164 |
| logP | 3.4566 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 34.89 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 80.006 |
| Atoms | 30 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 11 |
| 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 |

