Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5533455092
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 | 28 USD | 98 | 16 working days | Get Quote |
| 5 mg | 28 USD | 98 | 16 working days | Get Quote |
| 10 mg | 28 USD | 98 | 16 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-5499577546
- Component type: Main
-
2
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5533455092.sdf |
| SMILES | MCULE-5533455092.smiles |
| Standard InChI | MCULE-5533455092.inchi |
| InChIKey | MCULE-5533455092.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-870653863 | 99 | As is | in stock |
| P-855910199 | 98 | As is | 100 g |
| P-856012596 | 90 | As is | 500 mg |
| P-885544988 | 95 | As is | by synthesis |
| P-888665470 | 90 | As is | in stock |
| P-617742081 | 90 | As is | 290 mg |
| P-860607292 | 85 | Main component | by synthesis |
| P-1264899458 | 85 | Main component | by synthesis |
| P-1264052219 | 99 | Main component | in stock |
| P-851817815 | N/A | Main component | by synthesis |
| P-1274833188 | 95 | Main component | by resynthesis (? - ? days) |
| P-619598241 | 97 | Main component | by synthesis |
| P-861285905 | 95 | Main component | in stock |
| P-870662751 | 98 | Main component | in stock |
| P-500418735 | 99 | Main component | in stock |
| P-890849634 | 95 | Main component | in stock |
| P-890851621 | 90 | Main component | in stock |
| P-890851929 | 90 | Main component | in stock |
| P-890852104 | 90 | Main component | in stock |
| P-596563046 | 95 | Main component | 100 g |
| P-31163206 | 90 | Main component | 500 mg |
| P-608280070 | 98 | Main component | in stock |
| P-881189273 | 90 | Main component | 50 mg |
| P-881188548 | 90 | Main component | 20 mg |
| P-881189751 | 90 | Main component | 50 mg |
| P-491251648 | 95 | Main component | by synthesis |
| P-904202626 | 90 | Main component | in stock |
| P-502333718 | 90 | Main component | in stock |
| P-33162098 | 90 | Main component | 1000 mg |
| P-1272909185 | 94 | Main component | by resynthesis (? - ? days) |
| P-906783238 | 85 | Main component | by synthesis |
| P-1271627507 | 85 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 367.160 |
| logP | -0.9884 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 192.83 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 63.6935 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 12 |
| Heteroatoms | 14 |
| N/O atoms | 11 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
