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MCULE-4689474822-1
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 | 86 USD | 90 | 17 working days | Get Quote |
| 5 mg | 86 USD | 90 | 17 working days | Get Quote |
| 10 mg | 122 USD | 90 | 17 working days | Get Quote |
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1
MCULE-9857983829-0
- Component type: Main
-
1
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4689474822-1.sdf |
| SMILES | MCULE-4689474822-1.smiles |
| Standard InChI | MCULE-4689474822-1.inchi |
| InChIKey | MCULE-4689474822-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-35162469 | Maybridge | Screening Collection | 90 | As is | 9.545 kg |
| P-892989822 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-449433008 | ChemDiv | New Chemistry Library | 90 | Main component | 28 mg |
| P-502608069 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-502830915 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-896118248 | Specs | Screening Compounds | 90 | Main component | 10 mg |
| P-33933249 | TimTec | ActiMol 6 Week | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 381.718 |
| logP | 6.5466 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 53.16 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 97.1087 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
