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MCULE-8586882576
Compound
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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 | 18 USD | 90 | 14 working days | Get Quote |
| 5 mg | 28 USD | 90 | 14 working days | Get Quote |
| 10 mg | 38 USD | 90 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-8586882576.sdf |
| SMILES | MCULE-8586882576.smiles |
| Standard InChI | MCULE-8586882576.inchi |
| InChIKey | MCULE-8586882576.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851515094 | AmBeed | On request | N/A | As is | by synthesis |
| P-590841027 | BLD pharm | Non-stock building blocks | 90 | As is | by synthesis |
| P-893252867 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-18781902 | Key Organics | Screening Compounds and Fragments | 90 | As is | 75 mg |
| P-579724133 | Menai Organics | Building blocks | 90 | As is | in stock |
| P-579725055 | Menai Organics | Screening compounds | 90 | As is | in stock |
| P-502370095 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 405.874 |
| logP | 5.6804 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 67.01 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 114.8759 |
| Atoms | 49 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 20 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
