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MCULE-9743143399-0
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.
|
|
|---|---|---|---|---|
| 1 mg | 17 USD | 98 | 8 working days | Get Quote |
| 5 mg | 17 USD | 98 | 8 working days | Get Quote |
| 10 mg | 17 USD | 98 | 8 working days | Get Quote |
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MCULE-4085365421-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9743143399-0.sdf |
| SMILES | MCULE-9743143399-0.smiles |
| Standard InChI | MCULE-9743143399-0.inchi |
| InChIKey | MCULE-9743143399-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580699897 | BLD pharm | In-stock building blocks | 98 | As a main component | 34.45 g |
| P-871220274 | BOC Sciences | All products | N/A | As a main component | by resynthesis (? - ? days) |
| P-505575099 | Bosche Scientific | Bosche Products | 98 | As a main component | in stock |
| P-851246044 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-870584812 | Combi-Blocks | Building Block in stock | 97 | As a main component | in stock |
| P-852487558 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-854719440 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-474025075 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-608272231 | Molnova | Stock | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 585.174 |
| logP | 7.6133 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 12 |
| PSA | 98.55 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 170.7033 |
| Atoms | 76 |
| Rings | 5 |
| Heavy atoms | 41 |
| Hydrogen atoms | 35 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
