MCULE-1000834520-0
- 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-1000834520-0.sdf |
| SMILES | MCULE-1000834520-0.smiles |
| Standard InChI | MCULE-1000834520-0.inchi |
| InChIKey | MCULE-1000834520-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867625356 | N/A | As is | in stock |
| P-875787492 | N/A | As is | in stock |
| P-590375775 | 95 | As is | in stock |
| P-903138192 | 95 | As is | 25 g |
| P-878260077 | N/A | As is | in stock |
| P-888818276 | 95 | As is | 15 g |
| P-1263773957 | 95 | As is | by synthesis |
| P-878233875 | 95 | As is | 8.17 g |
| P-4603651 | 90 | As is | 50 mg |
| P-454691117 | 90 | As is | in stock |
| P-3848722 | 90 | As is | unavailable |
| P-436445833 | 95 | As is | 10 g |
| P-19987750 | 90 | As is | in stock |
| P-868631886 | 95 | As is | in stock |
| P-34743373 | 90 | As is | by synthesis |
| P-905310047 | N/A | As is | in stock |
| P-596589295 | 90 | As is | 1000 mg |
| P-852396055 | N/A | As is | in stock |
| P-895537799 | 95 | As is | by synthesis |
| P-885524734 | 95 | As is | by synthesis |
| P-23889964 | 90 | As is | in stock |
| P-896196780 | 90 | As is | unavailable |
| P-12698987 | 90 | As is | 1 mg |
| P-33493638 | 90 | As is | in stock |
| P-903633244 | 94 | As is | by resynthesis (? - ? days) |
| P-22631825 | 90 | As is | 10 mg |
| P-855231522 | 90 | As is | in stock |
| P-1027342 | 90 | As is | 4.42 g |
| P-3230912 | 90 | As is | 4.42 g |
| P-894010169 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 277.316 |
| logP | 4.1624 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 50.19 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 83.9113 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 21 |
| 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 |

