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MCULE-9474954186
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9474954186.sdf |
| SMILES | MCULE-9474954186.smiles |
| Standard InChI | MCULE-9474954186.inchi |
| InChIKey | MCULE-9474954186.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867414063 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-425233571 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-3536686 | ChemDiv | Discovery Chemistry Library | 90 | As is | 33 mg |
| P-503647899 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502746361 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-596586277 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-19226198 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885519594 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22809100 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-3217942 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.664 g |
| P-25102239 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.664 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 297.737 |
| logP | 3.9761 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 57.25 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 84.4769 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
