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MCULE-9021999155
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 45 USD | 90 | 22 working days | Get Quote |
| 10 mg | 60 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9021999155.sdf |
| SMILES | MCULE-9021999155.smiles |
| Standard InChI | MCULE-9021999155.inchi |
| InChIKey | MCULE-9021999155.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-4723051 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-3487865 | ChemDiv | Discovery Chemistry Library | 90 | As is | 6 mg |
| P-502500013 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-504186187 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-504503184 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-31133467 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-424927631 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22445303 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 2 mg |
| P-35102507 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 63 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 280.302 |
| logP | 1.9766 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 116.94 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 77.1384 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 12 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 1 |
