Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8065949636-0
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 | 3 USD | 99 | 14 working days | Get Quote |
| 5 mg | 3 USD | 99 | 14 working days | Get Quote |
| 10 mg | 3 USD | 99 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-1657332685-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8065949636-0.sdf |
| SMILES | MCULE-8065949636-0.smiles |
| Standard InChI | MCULE-8065949636-0.inchi |
| InChIKey | MCULE-8065949636-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867434750 | N/A | As is | by synthesis |
| P-675444079 | 90 | As is | in stock |
| P-579716296 | N/A | As is | in stock |
| P-867564144 | 98 | Main component | in stock |
| P-875723343 | N/A | Main component | in stock |
| P-535625718 | 95 | Main component | in stock |
| P-505352046 | 98 | Main component | in stock |
| P-903052766 | 99 | Main component | 50 kg |
| P-901165497 | 98 | Main component | in stock |
| P-617064061 | N/A | Main component | in stock |
| P-606890495 | N/A | Main component | in stock |
| P-489146122 | 97 | Main component | in stock |
| P-596928551 | 98 | Main component | 100 kg |
| P-494345418 | 95 | Main component | 2.79705 kg |
| P-864188060 | 95 | Main component | in stock |
| P-889740058 | 95 | Main component | 50 g |
| P-893258735 | 95 | Main component | by synthesis |
| P-505575108 | 98 | Main component | in stock |
| P-868578361 | 98 | Main component | in stock |
| P-580272732 | 95 | Main component | by resynthesis (? - ? days) |
| P-889110497 | 99 | Main component | 4.2023 kg |
| P-870655071 | N/A | Main component | in stock |
| P-890218874 | 90 | Main component | 17 g |
| P-590341313 | 90 | Main component | 17 g |
| P-505497424 | 95 | Main component | in stock |
| P-488544478 | 90 | Main component | in stock |
| P-454399514 | 97 | Main component | 25 g |
| P-579612052 | 98 | Main component | unavailable |
| P-856041842 | 90 | Main component | 10 g |
| P-31253243 | 90 | Main component | 10 g |
| P-467964841 | 90 | Main component | 4.712 g |
| P-601055717 | 90 | Main component | 4.712 g |
| P-860796266 | 97 | Main component | 480 g |
| P-852425704 | N/A | Main component | in stock |
| P-12389498 | 90 | Main component | 11 g |
| P-492274053 | 95 | Main component | 11 g |
| P-888883608 | N/A | Main component | in stock |
| P-454364102 | 92 | Main component | in stock |
| P-500372561 | 98 | Main component | by synthesis |
| P-859995165 | 95 | Main component | by synthesis |
| P-519877443 | 90 | Main component | in stock |
| P-596780535 | 98 | Main component | 770 g |
| P-502352655 | 90 | Main component | in stock |
| P-903644805 | 94 | Main component | by resynthesis (? - ? days) |
| P-608160885 | 97 | Main component | in stock |
| P-666966770 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 173.638 |
| logP | 2.6562 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.5724 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
