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MCULE-9890855054
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 | 23 working days | Get Quote |
| 5 mg | 60 USD | 95 | 34 working days | Get Quote |
| 10 mg | 60 USD | 95 | 34 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-9890855054.sdf |
| SMILES | MCULE-9890855054.smiles |
| Standard InChI | MCULE-9890855054.inchi |
| InChIKey | MCULE-9890855054.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886585706 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-869250163 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851907218 | AmBeed | On request | N/A | As is | by synthesis |
| P-611101814 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-861475824 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-503009900 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502714448 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-14215215 | Life Chemicals | Screening Compounds | 90 | As is | 461 mg |
| P-12983071 | Otava | In-House Stock Library | 90 | As is | 117 mg |
| P-617706870 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 117 mg |
| P-33463852 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-855233107 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 283.226 |
| logP | 2.54 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 91.85 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 53.9185 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 8 |
| Heteroatoms | 9 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
