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MCULE-5934022267
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 | 111 USD | 90 | 10 working days | Get Quote |
| 5 mg | 111 USD | 90 | 10 working days | Get Quote |
| 10 mg | 111 USD | 90 | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5934022267.sdf |
| SMILES | MCULE-5934022267.smiles |
| Standard InChI | MCULE-5934022267.inchi |
| InChIKey | MCULE-5934022267.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886446208 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-596291799 | Asinex | General screening catalog | 90 | As is | unavailable |
| P-596509112 | Asinex | General bb catalog | 90 | As is | unavailable |
| P-503914372 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-31185004 | LaboTest | Screening Collection | 90 | As is | 250 mg |
| P-579740415 | Life Chemicals | Screening Compounds | 90 | As is | 72 mg |
| P-863992151 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-596829924 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 326.185 |
| logP | 3.3516 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 66.4 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 76.9545 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
