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UNKNOWN STEREO
MCULE-7400677779
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 | 39 USD | 95 | 11 working days | Get Quote |
| 5 mg | 51 USD | 95 | 11 working days | Get Quote |
| 10 mg | 96 USD | 95 | 11 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-7400677779.sdf |
| SMILES | MCULE-7400677779.smiles |
| Standard InChI | MCULE-7400677779.inchi |
| InChIKey | MCULE-7400677779.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-590378822 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-881038390 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-860799867 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-500412428 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-888657255 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869161870 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-666968565 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1140.235 |
| logP | 0.6548 |
| H-bond acceptors | 24 |
| H-bond donors | 14 |
| Rotatable bonds | 15 |
| PSA | 377.42 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 316.9704 |
| Atoms | 155 |
| Rings | 7 |
| Heavy atoms | 82 |
| Hydrogen atoms | 73 |
| Heteroatoms | 24 |
| N/O atoms | 24 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 15 |
| R/S chiral centers | 15 |
| 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 |
