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MCULE-4801456198
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 | 83 USD | 90 | 17 working days | Get Quote |
| 5 mg | 83 USD | 90 | 17 working days | Get Quote |
| 10 mg | 118 USD | 90 | 17 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-4801456198.sdf |
| SMILES | MCULE-4801456198.smiles |
| Standard InChI | MCULE-4801456198.inchi |
| InChIKey | MCULE-4801456198.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886712053 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-894625130 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851463242 | AmBeed | On request | N/A | As is | by synthesis |
| P-851706888 | AmBeed | On request | N/A | As is | by synthesis |
| P-596518602 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-596471265 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-889818070 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-888619512 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
| P-892802607 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-35182669 | Maybridge | Screening Collection | 90 | As is | 4.866 kg |
| P-641657801 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-896081684 | Specs | Repurposed Compounds | N/A | As is | 1.697 g |
| P-502404947 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 235.235 |
| logP | 1.3431 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 75.63 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 61.4275 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
