Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5474395077-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-9519184273-0
- Component type: Main
-
2
MCULE-5726619687-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5474395077-0.sdf |
| SMILES | MCULE-5474395077-0.smiles |
| Standard InChI | MCULE-5474395077-0.inchi |
| InChIKey | MCULE-5474395077-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852458152 | N/A | As is | in stock |
| P-852178258 | N/A | Main component | by synthesis |
| P-901273287 | N/A | Main component | in stock |
| P-615717603 | 95 | Main component | in stock |
| P-893411630 | 90 | Main component | by synthesis |
| P-881618692 | N/A | Main component | by synthesis |
| P-864272949 | 95 | Main component | by synthesis |
| P-893233710 | 95 | Main component | in stock |
| P-881675557 | N/A | Main component | by resynthesis (? - ? days) |
| P-852428062 | N/A | Main component | in stock |
| P-854930645 | 95 | Main component | by synthesis |
| P-872680380 | 95 | Main component | in stock |
| P-611484845 | 90 | Main component | in stock |
| P-886943244 | 95 | Main component | by synthesis |
| P-867468249 | N/A | Main component as a main component | by synthesis |
| P-890158621 | N/A | Main component as a main component | in stock |
| P-892478021 | 90 | Main component as a main component | 341 mg |
| P-893361915 | 90 | Main component as a main component | 1000 mg |
| P-674290654 | 90 | Main component as a main component | in stock |
| P-619300889 | 90 | Main component as a main component | 22 mg |
| P-34729221 | 90 | Main component as a main component | by synthesis |
| P-580788339 | 90 | Main component as a main component | by resynthesis (? - ? days) |
| P-24175351 | 95 | Main component as a main component | 300 mg |
| P-852383323 | N/A | Main component as a main component | in stock |
| P-13344629 | 92 | Main component as a main component | 300 mg |
| P-675103754 | 90 | Main component as a main component | in stock |
| P-896179517 | 90 | Main component as a main component | unavailable |
| P-502440917 | 90 | Main component as a main component | in stock |
| P-873215300 | 90 | Main component as a main component | in stock |
| P-903633845 | 94 | Main component as a main component | by resynthesis (? - ? days) |
| P-611460880 | 90 | Main component as a main component | in stock |
| P-617722185 | 90 | Main component as a main component | 4.479 g |
| P-617771382 | 90 | Main component as a main component | 4.479 g |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 455.337 |
| logP | 1.6988 |
| H-bond acceptors | 12 |
| H-bond donors | 8 |
| Rotatable bonds | 6 |
| PSA | 235.31 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 108.0019 |
| Atoms | 56 |
| Rings | 2 |
| Heavy atoms | 29 |
| Hydrogen atoms | 27 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| 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 |
