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UNKNOWN STEREO
MCULE-4188577717
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 | 31 USD | N/A | 14 working days | Get Quote |
| 10 mg | 31 USD | N/A | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-5540454667
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4188577717.sdf |
| SMILES | MCULE-4188577717.smiles |
| Standard InChI | MCULE-4188577717.inchi |
| InChIKey | MCULE-4188577717.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886549211 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-596982934 | Angene | Building Blocks in stock | 97 | As is | 10.5 g |
| P-889555058 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-888633285 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869118197 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-872713950 | AmBeed | In stock | N/A | As a main component | in stock |
| P-580192512 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-864112309 | AstaTech | In Stock BBs | 98 | As a main component | in stock |
| P-488555380 | InterBioScreen | Bioactive compounds | 92 | As a main component | in stock |
| P-500397424 | Pi Chemicals | Virtual Compounds | 98 | As a main component | by synthesis |
| P-869175527 | TargetMol | Natural Products | 95 | As a main component | 48.81 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 543.518 |
| logP | 0.7016 |
| H-bond acceptors | 12 |
| H-bond donors | 6 |
| Rotatable bonds | 5 |
| PSA | 206.07 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 132.6618 |
| Atoms | 68 |
| Rings | 5 |
| Heavy atoms | 39 |
| Hydrogen atoms | 29 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 |
