Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8558684717-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 23 USD | 97 | 22 working days | Get Quote |
| 5 mg | 38 USD | 95 | 7 working days | Get Quote |
| 10 mg | 65 USD | 95 | 7 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.
-
1
MCULE-2679305983-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8558684717-0.sdf |
| SMILES | MCULE-8558684717-0.smiles |
| Standard InChI | MCULE-8558684717-0.inchi |
| InChIKey | MCULE-8558684717-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872835739 | 99 | As is | in stock |
| P-875846028 | 99 | As is | in stock |
| P-899932238 | N/A | As is | by synthesis |
| P-869420373 | 95 | As is | by synthesis |
| P-868544062 | 99 | As is | in stock |
| P-901883027 | 98 | As is | by synthesis |
| P-901475270 | 95 | As is | by synthesis |
| P-901020925 | 95 | As is | by synthesis |
| P-1271501046 | 95 | As is | by synthesis |
| P-867630702 | 97 | Main component | in stock |
| P-875794443 | 97 | Main component | in stock |
| P-869231076 | 95 | Main component | by resynthesis (? - ? days) |
| P-903146316 | 95 | Main component | 100 mg |
| P-904321600 | 90 | Main component | 11.471 g |
| P-1270408110 | 95 | Main component | in stock |
| P-606941375 | N/A | Main component | in stock |
| P-596966324 | 95 | Main component | 100 mg |
| P-1273456529 | 95 | Main component | by resynthesis (? - ? days) |
| P-864141058 | 95 | Main component | in stock |
| P-860056535 | 98 | Main component | by synthesis |
| P-580714559 | 95 | Main component | 195 mg |
| P-871219137 | N/A | Main component | by resynthesis (? - ? days) |
| P-893233590 | 95 | Main component | in stock |
| P-851246122 | 95 | Main component | by synthesis |
| P-861347002 | 95 | Main component | by synthesis |
| P-580291129 | N/A | Main component | by resynthesis (? - ? days) |
| P-862052019 | 95 | Main component | 100 mg |
| P-855994379 | 95 | Main component | 73 mg |
| P-1272595283 | 95 | Main component | 50 mg |
| P-852503268 | 95 | Main component | by synthesis |
| P-854721244 | 95 | Main component | in stock |
| P-905146939 | 95 | Main component | by synthesis |
| P-594275665 | 95 | Main component | 985 mg |
| P-892298600 | 95 | Main component | 985 mg |
| P-888658228 | 95 | Main component | 985 mg |
| P-611450993 | 90 | Main component | in stock |
| P-667021278 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 317.875 |
| logP | 4.5002 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 45.76 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 89.813 |
| Atoms | 44 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 24 |
| Heteroatoms | 5 |
| 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 |
