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UNKNOWN STEREO
MCULE-3040669162
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 | 70 USD | 98 | 20 working days | Get Quote |
| 5 mg | 205 USD | 98 | 20 working days | Get Quote |
| 10 mg | 346 USD | 98 | 20 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-3040669162.sdf |
| SMILES | MCULE-3040669162.smiles |
| Standard InChI | MCULE-3040669162.inchi |
| InChIKey | MCULE-3040669162.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867679457 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875858444 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-874634878 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-888934356 | AmBeed | In stock | N/A | As is | in stock |
| P-881116006 | Angene | Building Blocks in stock | 98 | As is | 90 mg |
| P-888630845 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869114326 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611511576 | Toronto Research | In stock | 90 | As is | in stock |
| P-868522867 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1042.138 |
| logP | 1.3281 |
| H-bond acceptors | 25 |
| H-bond donors | 11 |
| Rotatable bonds | 32 |
| PSA | 365.19 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 280.4243 |
| Atoms | 145 |
| Rings | 4 |
| Heavy atoms | 74 |
| Hydrogen atoms | 71 |
| Heteroatoms | 25 |
| N/O atoms | 25 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
