MCULE-5355166420
- 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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 14 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-8090810649
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5355166420.sdf |
| SMILES | MCULE-5355166420.smiles |
| Standard InChI | MCULE-5355166420.inchi |
| InChIKey | MCULE-5355166420.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867662293 | 97 | As is | in stock |
| P-875831175 | N/A | As is | in stock |
| P-869184781 | 95 | As is | in stock |
| P-590357174 | 98 | As is | in stock |
| P-903206777 | 97 | As is | 900 g |
| P-606939026 | N/A | As is | in stock |
| P-596973106 | 98 | As is | 300 g |
| P-494331525 | 95 | As is | by resynthesis (? - ? days) |
| P-864166526 | 97 | As is | in stock |
| P-580732681 | 97 | As is | 80 g |
| P-492251903 | 95 | As is | in stock |
| P-619928109 | 90 | As is | by synthesis |
| P-436461239 | 95 | As is | 5 g |
| P-868603249 | 98 | As is | in stock |
| P-580303324 | 95 | As is | by resynthesis (? - ? days) |
| P-862030731 | 97 | As is | 934.799 g |
| P-905346406 | 97 | As is | 232 g |
| P-505517523 | 95 | As is | in stock |
| P-14043947 | 90 | As is | no data |
| P-855996950 | 97 | As is | 100 mg |
| P-524194186 | 97 | As is | 500 g |
| P-580482320 | 95 | As is | by synthesis |
| P-852432481 | N/A | As is | in stock |
| P-854741783 | 95 | As is | in stock |
| P-500404272 | 98 | As is | by synthesis |
| P-885546424 | 95 | As is | by synthesis |
| P-596793252 | 97 | As is | 2.47261 kg |
| P-502370756 | 90 | As is | in stock |
| P-906777483 | 97 | As is | by synthesis |
| P-611379486 | 90 | As is | in stock |
| P-854632504 | 95 | As is | in stock |
| P-893113533 | N/A | As a main component | by synthesis |
| P-904507902 | 95 | As a main component | in stock |
| P-851900257 | N/A | As a main component | by synthesis |
| P-864216372 | 98 | As a main component | by synthesis |
| P-591044099 | 97 | As a main component | by synthesis |
| P-864061212 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.184 |
| logP | 1.2729 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 54.37 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 47.8008 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| 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 |

