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UNKNOWN STEREO
MCULE-4417077086
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 | 65 USD | N/A | 35 working days | Get Quote |
| 5 mg | 150 USD | N/A | 35 working days | Get Quote |
| 10 mg | 228 USD | N/A | 35 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-7287950959
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4417077086.sdf |
| SMILES | MCULE-4417077086.smiles |
| Standard InChI | MCULE-4417077086.inchi |
| InChIKey | MCULE-4417077086.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867623951 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875786636 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869227913 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-891647093 | AmBeed | On request | N/A | As is | by synthesis |
| P-889521433 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-560283664 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-881652861 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-889522059 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-888664392 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869173846 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 796.956 |
| logP | 3.3078 |
| H-bond acceptors | 18 |
| H-bond donors | 11 |
| Rotatable bonds | 29 |
| PSA | 319.47 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 213.7849 |
| Atoms | 117 |
| Rings | 2 |
| Heavy atoms | 57 |
| Hydrogen atoms | 60 |
| Heteroatoms | 18 |
| N/O atoms | 18 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| 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 |
