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MCULE-1722444114
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 | 20 USD | 98 | 24 working days | Get Quote |
| 5 mg | 20 USD | 98 | 24 working days | Get Quote |
| 10 mg | 20 USD | 98 | 24 working days | Get Quote |
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1
MCULE-3959517709
- Component type: Main
-
2
MCULE-5396813937
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1722444114.sdf |
| SMILES | MCULE-1722444114.smiles |
| Standard InChI | MCULE-1722444114.inchi |
| InChIKey | MCULE-1722444114.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-616195828 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-868597227 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-590931759 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-619598886 | BLD pharm | Non-stock building blocks | 98 | Main component as a main component | by synthesis |
| P-887322188 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-861471822 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-868618649 | Combi-Blocks | Building Block in stock | 96 | Main component as a main component | in stock |
| P-888172509 | Molnova | On demand | 98 | Main component as a main component | by synthesis |
| P-617403635 | Selleckchem | Product Catalog | N/A | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 416.240 |
| logP | -1.3904 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 242.22 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 52.6564 |
| Atoms | 32 |
| Rings | 0 |
| Heavy atoms | 22 |
| Hydrogen atoms | 10 |
| Heteroatoms | 16 |
| N/O atoms | 12 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
