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MCULE-7199699404
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 | 45 USD | 90 | 23 working days | Get Quote |
| 5 mg | 73 USD | 90 | 23 working days | Get Quote |
| 10 mg | 87 USD | 90 | 23 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-7199699404.sdf |
| SMILES | MCULE-7199699404.smiles |
| Standard InChI | MCULE-7199699404.inchi |
| InChIKey | MCULE-7199699404.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-425553658 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-6757002 | ChemDiv | Discovery Chemistry Library | 90 | As is | 58 mg |
| P-502471622 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-12911212 | Otava | In-House Stock Library | 90 | As is | 202 mg |
| P-617703087 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 202 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 301.322 |
| logP | 1.87378 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 132.14 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 78.1155 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 11 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
