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UNKNOWN STEREO
MCULE-5120797917-0
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 | 5 USD | 98 | 16 working days | Get Quote |
| 5 mg | 5 USD | 98 | 16 working days | Get Quote |
| 10 mg | 5 USD | 98 | 16 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-5120797917-0.sdf |
| SMILES | MCULE-5120797917-0.smiles |
| Standard InChI | MCULE-5120797917-0.inchi |
| InChIKey | MCULE-5120797917-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867534894 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875690002 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-505404142 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505353883 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-580239260 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606918022 | AmBeed | In stock | N/A | As is | in stock |
| P-596935979 | Angene | Building Blocks in stock | 98 | As is | 1.795 kg |
| P-864090796 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-868543599 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-580452068 | CliniSciences S.A.S | All products | 99 | As is | in stock |
| P-505496649 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-488555490 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-488555276 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-524441558 | Key Organics | Biochemicals | 97 | As is | 1.481 g |
| P-881187619 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-881190269 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-500375700 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-888626689 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869107656 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-873224929 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-35092701 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 275 mg |
| P-480891721 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 170.209 |
| logP | 0.5109 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 63.4 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 48.3744 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
