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MCULE-7845058902
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 | 13 USD | 95 | 16 working days | Get Quote |
| 5 mg | 13 USD | 95 | 16 working days | Get Quote |
| 10 mg | 13 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-7845058902.sdf |
| SMILES | MCULE-7845058902.smiles |
| Standard InChI | MCULE-7845058902.inchi |
| InChIKey | MCULE-7845058902.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867534104 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-590366668 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-517099005 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851892358 | AmBeed | On request | N/A | As is | by synthesis |
| P-606876680 | AmBeed | In stock | N/A | As is | in stock |
| P-596986130 | Angene | Building Blocks in stock | 95 | As is | 138 g |
| P-589660212 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864196635 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-502446126 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-502769601 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492221142 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-596568900 | Key Organics | Building Blocks | 97 | As is | 334 mg |
| P-855987034 | Key Organics | Building Blocks | 97 | As is | 25 g |
| P-596546658 | Key Organics | Screening Compounds and Fragments | 97 | As is | 334 mg |
| P-855999858 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-35238742 | Maybridge | Screening Collection | 90 | As is | 2.994 kg |
| P-492286628 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 10 g |
| P-13117404 | Otava | In-House Stock Library | 90 | As is | 10 g |
| P-502349624 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611378513 | Toronto Research | In stock | 90 | As is | in stock |
| P-666973484 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 173.167 |
| logP | 1.67818 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 61.09 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 47.6678 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
