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UNKNOWN STEREO
MCULE-1611345094
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 | 6 USD | N/A | 14 working days | Get Quote |
| 5 mg | 42 USD | 95 | 16 working days | Get Quote |
| 10 mg | 42 USD | 95 | 16 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-1611345094.sdf |
| SMILES | MCULE-1611345094.smiles |
| Standard InChI | MCULE-1611345094.inchi |
| InChIKey | MCULE-1611345094.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867565827 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875725505 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-505395398 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606878974 | AmBeed | In stock | N/A | As is | in stock |
| P-865907502 | Angene | Building Blocks in stock | 90 | As is | 10.35 g |
| P-864144645 | AstaTech | In Stock BBs | 90 | As is | in stock |
| P-890852332 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-881190286 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-500386354 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-869177321 | TargetMol | Natural Products | 95 | As is | in stock |
| P-869177910 | TargetMol | Natural Products | 95 | As is | 361 mg |
| P-886937303 | eNovation Chemicals LLC | Building Block on demand | 98 | As is | by synthesis |
| P-868501241 | eNovation Chemicals LLC | Building Blocks in stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 464.375 |
| logP | -0.5389 |
| H-bond acceptors | 12 |
| H-bond donors | 8 |
| Rotatable bonds | 4 |
| PSA | 210.51 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 110.1572 |
| Atoms | 53 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 20 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 |
