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UNKNOWN STEREO
MCULE-8404556889
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 | 208 USD | 95 | 11 working days | Get Quote |
| 5 mg | 636 USD | 95 | 11 working days | Get Quote |
| 10 mg | 905 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-8404556889.sdf |
| SMILES | MCULE-8404556889.smiles |
| Standard InChI | MCULE-8404556889.inchi |
| InChIKey | MCULE-8404556889.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888731451 | AmBeed | In stock | N/A | As is | in stock |
| P-881653499 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-889775639 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580450895 | CliniSciences S.A.S | All products | 97 | As is | in stock |
| P-869119617 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892289243 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888634509 | TargetMol | Screening Compounds - stock amount | 95 | As is | 540 mg |
| P-855031126 | Toronto Research | In stock | 90 | As is | in stock |
| P-855091190 | Toronto Research | In stock | 90 | As is | in stock |
| P-666970667 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 540.729 |
| logP | 6.7847 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 15 |
| PSA | 100.9 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 160.2056 |
| Atoms | 87 |
| Rings | 1 |
| Heavy atoms | 39 |
| Hydrogen atoms | 48 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 7 |
| R/S chiral centers | 7 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 5 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 5 |
| Undefined stereo double bonds | 0 |
