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MCULE-5305583557-0
Structure
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- 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.
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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.
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|
|---|---|---|---|---|
| 1 mg | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 working days | Get Quote |
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1
MCULE-2499546205-0
- Component type: Main
-
1
MCULE-3867000095-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5305583557-0.sdf |
| SMILES | MCULE-5305583557-0.smiles |
| Standard InChI | MCULE-5305583557-0.inchi |
| InChIKey | MCULE-5305583557-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-502858059 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-31185586 | LaboTest | Screening Collection | 90 | As is | 100 mg |
| P-886044715 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-596342928 | Asinex | General screening catalog | 90 | Main component | 14 mg |
| P-13580064 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
| P-14076623 | Life Chemicals | Screening Compounds | 90 | Main component | in stock |
| P-12281219 | Otava | In-House Stock Library | 90 | Main component | 12 mg |
| P-18842767 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-453969122 | Specs | Screening Compounds | 90 | Main component | 1 mg |
| P-873070285 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-2513658 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 88 mg |
| P-886046732 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-619314901 | ChemDiv | Discovery Chemistry Library | 90 | Main component as a main component | 10 mg |
| P-502858063 | Innovapharm | Screening Compounds | 90 | Main component as a main component | in stock |
| P-25739401 | Life Chemicals | Screening Compounds | 90 | Main component as a main component | in stock |
| P-621153104 | Otava | Tangible screening compounds | 90 | Main component as a main component | by synthesis |
| P-18842744 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 531.507 |
| logP | 1.6296 |
| H-bond acceptors | 12 |
| H-bond donors | 5 |
| Rotatable bonds | 9 |
| PSA | 187.2 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 136.9447 |
| Atoms | 67 |
| Rings | 4 |
| Heavy atoms | 38 |
| Hydrogen atoms | 29 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
