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MCULE-5780221880-0
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.
|
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 | 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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2
MCULE-7136744652-0
- Component type: Main
-
1
MCULE-3867000095-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5780221880-0.sdf |
| SMILES | MCULE-5780221880-0.smiles |
| Standard InChI | MCULE-5780221880-0.inchi |
| InChIKey | MCULE-5780221880-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-502858056 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-33238311 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-504780164 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 1 mg |
| P-500236732 | Diverchim | Diverchim General Catalog | N/A | Main component | in stock |
| P-502598575 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-621153158 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
| P-424797680 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-33460564 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-2513688 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 103 mg |
| P-886040083 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-502858040 | Innovapharm | Screening Compounds | 90 | Main component as a main component | in stock |
| P-25739403 | Life Chemicals | Screening Compounds | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 937.035 |
| logP | 8.1812 |
| H-bond acceptors | 16 |
| H-bond donors | 6 |
| Rotatable bonds | 15 |
| PSA | 240.88 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 263.7382 |
| Atoms | 128 |
| Rings | 8 |
| Heavy atoms | 68 |
| Hydrogen atoms | 60 |
| Heteroatoms | 16 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
