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MCULE-8987805880-1
Structure
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- SMILES:
- InChI:
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| 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8987805880-1.sdf |
| SMILES | MCULE-8987805880-1.smiles |
| Standard InChI | MCULE-8987805880-1.inchi |
| InChIKey | MCULE-8987805880-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-4094577 | ChemDiv | Discovery Chemistry Library | 90 | As is | 14 mg |
| P-502466833 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-492220835 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-12852984 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-579684716 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-854771435 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-13574201 | Pharmeks LLC | Synthetic compounds | 92 | As is | 236 mg |
| P-19453766 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-873218453 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611588209 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 191.255 |
| logP | 2.1447 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 65.7 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 54.1097 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
