Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8418206804-1
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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 8 USD | 98 | 22 working days | Get Quote |
| 10 mg | 8 USD | 98 | 22 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-9291072201-1
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8418206804-1.sdf |
| SMILES | MCULE-8418206804-1.smiles |
| Standard InChI | MCULE-8418206804-1.inchi |
| InChIKey | MCULE-8418206804-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867661471 | 98 | As is | in stock |
| P-875830409 | N/A | As is | in stock |
| P-505351366 | 98 | As is | in stock |
| P-881670027 | 99 | As is | in stock |
| P-881671827 | 95 | As is | in stock |
| P-903205781 | 98 | As is | 50 g |
| P-893617815 | 90 | As is | 53.894 g |
| P-606930305 | N/A | As is | in stock |
| P-489138526 | 97 | As is | in stock |
| P-596972748 | 98 | As is | 50 g |
| P-580195207 | 98 | As is | in stock |
| P-864171491 | 98 | As is | in stock |
| P-580729205 | 98 | As is | 5.7 g |
| P-901455725 | 95 | As is | by synthesis |
| P-505577384 | 98 | As is | in stock |
| P-617651737 | 90 | As is | in stock |
| P-584604349 | 95 | As is | in stock |
| P-617323690 | 90 | As is | in stock |
| P-851278204 | 95 | As is | by synthesis |
| P-868579241 | 98 | As is | in stock |
| P-608219235 | 98 | As is | in stock |
| P-505517498 | 95 | As is | in stock |
| P-488555507 | 92 | As is | in stock |
| P-488555277 | 90 | As is | in stock |
| P-524443056 | 97 | As is | 874 mg |
| P-608086523 | 98 | As is | 50 g |
| P-852533933 | N/A | As is | in stock |
| P-896627649 | 95 | As is | by synthesis |
| P-863732655 | 95 | As is | in stock |
| P-474026067 | 95 | As is | in stock |
| P-608276091 | 98 | As is | in stock |
| P-885519818 | 95 | As is | by synthesis |
| P-675097834 | 90 | As is | in stock |
| P-579710458 | N/A | As is | in stock |
| P-869107684 | 95 | As is | by synthesis |
| P-892286288 | 95 | As is | unavailable |
| P-888626721 | 95 | As is | 203 mg |
| P-23118257 | 90 | As is | in stock |
| P-873225541 | 90 | As is | in stock |
| P-873222319 | 90 | As is | in stock |
| P-906856638 | 95 | As is | by synthesis |
| P-906867399 | 98 | As is | by synthesis |
| P-617713017 | 90 | As is | 1.906 g |
| P-617769422 | 90 | As is | 1.906 g |
| P-615417941 | 95 | As is | in stock |
| P-860631034 | N/A | Main component | by synthesis |
| P-505494773 | 95 | Main component | in stock |
| P-579635645 | 98 | Main component | by resynthesis (? - ? days) |
| P-588253888 | N/A | Main component | by synthesis |
| P-852601238 | N/A | Main component | in stock |
| P-855338775 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 330.848 |
| logP | 3.9394 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 10 |
| PSA | 64.79 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 92.1279 |
| Atoms | 49 |
| Rings | 1 |
| Heavy atoms | 22 |
| Hydrogen atoms | 27 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
