Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8054557225
Compound
Show structure
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 | 33 USD | 98 | 14 working days | Get Quote |
| 5 mg | 33 USD | 98 | 14 working days | Get Quote |
| 10 mg | 33 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-8054557225.sdf |
| SMILES | MCULE-8054557225.smiles |
| Standard InChI | MCULE-8054557225.inchi |
| InChIKey | MCULE-8054557225.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867555933 | 98 | As is | in stock |
| P-875714720 | 98 | As is | in stock |
| P-869237865 | 95 | As is | by resynthesis (? - ? days) |
| P-903042332 | 98 | As is | 5 g |
| P-1274440318 | 90 | As is | 40.2 g |
| P-1270340734 | 99 | As is | in stock |
| P-868962818 | N/A | As is | in stock |
| P-865906401 | 98 | As is | 15 g |
| P-1273458831 | 95 | As is | by resynthesis (? - ? days) |
| P-889578346 | 95 | As is | in stock |
| P-868955994 | 99 | As is | 2.35 g |
| P-893218811 | 95 | As is | in stock |
| P-887194269 | 95 | As is | by synthesis |
| P-580405581 | 95 | As is | by resynthesis (? - ? days) |
| P-579718151 | 95 | As is | in stock |
| P-901408509 | 98 | As is | 5 g |
| P-870660953 | N/A | As is | in stock |
| P-855918654 | 97 | As is | 50 mg |
| P-580513781 | N/A | As is | in stock |
| P-1272602797 | N/A | As is | 5 g |
| P-852603704 | N/A | As is | by synthesis |
| P-854692007 | 95 | As is | in stock |
| P-904067282 | 95 | As is | by synthesis |
| P-889884672 | 95 | As is | by synthesis |
| P-904256490 | 95 | As is | in stock |
| P-1274332824 | 95 | As is | unavailable |
| P-869124002 | 95 | As is | 777 mg |
| P-888637931 | 95 | As is | 100 mg |
| P-906763018 | 99 | As is | by synthesis |
| P-1271675359 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.317 |
| logP | 2.9627 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 62.7316 |
| Atoms | 39 |
| Rings | 0 |
| Heavy atoms | 15 |
| Hydrogen atoms | 24 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
