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MCULE-1513764490
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 | 45 USD | 90 | 21 working days | Get Quote |
| 5 mg | 72 USD | 90 | 21 working days | Get Quote |
| 10 mg | 86 USD | 90 | 21 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-4313865814
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1513764490.sdf |
| SMILES | MCULE-1513764490.smiles |
| Standard InChI | MCULE-1513764490.inchi |
| InChIKey | MCULE-1513764490.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852191628 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-874621979 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-854942487 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-893084772 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-427965232 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 1 mg |
| P-502469033 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-895411002 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-12831803 | Otava | In-House Stock Library | 90 | Main component | 76 mg |
| P-454163987 | Specs | Screening Compounds | 90 | Main component | 12 mg |
| P-502382043 | TimTec | Building Block Collection | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 336.794 |
| logP | 3.32 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 100.43 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 89.0878 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 13 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
