Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5782550624-0
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 | 6 USD | 98 | 20 working days | Get Quote |
| 5 mg | 6 USD | 98 | 20 working days | Get Quote |
| 10 mg | 6 USD | 98 | 20 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-6637542099-0
- Component type: Main
-
1
MCULE-1504889908-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5782550624-0.sdf |
| SMILES | MCULE-5782550624-0.smiles |
| Standard InChI | MCULE-5782550624-0.inchi |
| InChIKey | MCULE-5782550624-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-504617632 | 90 | As is | by synthesis |
| P-867456123 | N/A | Main component | by synthesis |
| P-875725804 | N/A | Main component | in stock |
| P-869187442 | 95 | Main component | in stock |
| P-505351919 | 98 | Main component | in stock |
| P-903054791 | 98 | Main component | 47.5 kg |
| P-596992233 | 98 | Main component | 10 kg |
| P-864187632 | 98 | Main component | in stock |
| P-901462194 | 95 | Main component | by synthesis |
| P-666899853 | 90 | Main component | 100 mg |
| P-620806917 | 95 | Main component | 90 g |
| P-612678743 | 90 | Main component | in stock |
| P-868611494 | 98 | Main component | in stock |
| P-905340529 | 95 | Main component | in stock |
| P-862010360 | 95 | Main component | 43.0883 kg |
| P-870655191 | 98 | Main component | in stock |
| P-870655763 | 99 | Main component | in stock |
| P-890218817 | 90 | Main component | in stock |
| P-590341247 | 90 | Main component | 20 g |
| P-492217459 | 95 | Main component | in stock |
| P-488553105 | 90 | Main component | in stock |
| P-870641011 | 97 | Main component | 100 mg |
| P-588717947 | 95 | Main component | 911 mg |
| P-855918776 | 97 | Main component | 500 g |
| P-588708837 | 95 | Main component | 1000 g |
| P-856041576 | 90 | Main component | unavailable |
| P-856012210 | 90 | Main component | unavailable |
| P-613284709 | 95 | Main component | by synthesis |
| P-581744912 | 96 | Main component | 12.5774 kg |
| P-852504932 | N/A | Main component | in stock |
| P-895283150 | 95 | Main component | by synthesis |
| P-901840371 | 95 | Main component | in stock |
| P-12471892 | 90 | Main component | 250 g |
| P-492277929 | 95 | Main component | 250 g |
| P-500404874 | 98 | Main component | by synthesis |
| P-885519772 | 95 | Main component | by synthesis |
| P-519858719 | 90 | Main component | in stock |
| P-502352703 | 90 | Main component | in stock |
| P-888433261 | 94 | Main component | by resynthesis (? - ? days) |
| P-480890754 | 95 | Main component | in stock |
| P-480892245 | 95 | Main component | in stock |
| P-867618905 | 95 | Main component as a main component | in stock |
| P-875780072 | N/A | Main component as a main component | in stock |
| P-869195480 | 95 | Main component as a main component | in stock |
| P-505401148 | 98 | Main component as a main component | in stock |
| P-901507761 | 95 | Main component as a main component | by synthesis |
| P-868575771 | 96 | Main component as a main component | in stock |
| P-855993686 | 95 | Main component as a main component | 100 mg |
| P-899783526 | 97 | Main component as a main component | 1000 mg |
| P-524169868 | 95 | Main component as a main component | 25 g |
| P-902981760 | 95 | Main component as a main component | by synthesis |
| P-906907424 | 99 | Main component as a main component | in stock |
| P-893662706 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 219.260 |
| logP | 2.8346 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 109.0 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 53.144 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 13 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
