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UNKNOWN STEREO
MCULE-7813362088
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 | 7 USD | N/A | 14 working days | Get Quote |
| 5 mg | 40 USD | 95 | 11 working days | Get Quote |
| 10 mg | 40 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-7813362088.sdf |
| SMILES | MCULE-7813362088.smiles |
| Standard InChI | MCULE-7813362088.inchi |
| InChIKey | MCULE-7813362088.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-590359064 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606869465 | AmBeed | In stock | N/A | As is | in stock |
| P-864174154 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-580450320 | CliniSciences S.A.S | All products | 99 | As is | in stock |
| P-488543948 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-583850838 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-650815953 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-26464302 | Otava | In-House Stock Library | 90 | As is | 1.4 g |
| P-454363824 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500371365 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-888639970 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869126639 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-666970693 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| P-868514590 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 405.487 |
| logP | 2.2643 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 13 |
| PSA | 132.96 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 112.6557 |
| Atoms | 60 |
| Rings | 2 |
| Heavy atoms | 29 |
| Hydrogen atoms | 31 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| 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 |
