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MCULE-6553852097
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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| Name | File |
|---|---|
| SDF | MCULE-6553852097.sdf |
| SMILES | MCULE-6553852097.smiles |
| Standard InChI | MCULE-6553852097.inchi |
| InChIKey | MCULE-6553852097.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-492235885 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502932450 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-503869328 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-617682531 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 105 mg |
| P-12275001 | Otava | In-House Stock Library | 90 | As is | 105 mg |
| P-12975752 | Specs | Screening Compounds | 90 | As is | 25 mg |
| P-33989938 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-873234828 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-588818990 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.215 |
| logP | 2.2038 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 49.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 52.3917 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
