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MCULE-5940025779
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.
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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 | 133 USD | N/A | 7 working days | Get Quote |
| 5 mg | 133 USD | N/A | 7 working days | Get Quote |
| 10 mg | 133 USD | N/A | 7 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-3525022163
- Component type: Main
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MCULE-9528605494
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5940025779.sdf |
| SMILES | MCULE-5940025779.smiles |
| Standard InChI | MCULE-5940025779.inchi |
| InChIKey | MCULE-5940025779.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-610980188 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 522.25 g |
| P-493673899 | Iris Biotech GmbH | Building Block Library | N/A | As is | in stock |
| P-852410830 | Matrix Scientific | All | N/A | As is | in stock |
| P-895214585 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-870590557 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-893352549 | Iris Biotech GmbH | Building Block Library | N/A | As a main component | in stock |
| P-895188195 | MedChemExpress | Screening compounds on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 272.301 |
| logP | 2.28856 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 125.38 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.0975 |
| Atoms | 39 |
| Rings | 0 |
| Heavy atoms | 19 |
| Hydrogen atoms | 20 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
