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UNKNOWN STEREO
MCULE-6846516221
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 50 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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-6846516221.sdf |
| SMILES | MCULE-6846516221.smiles |
| Standard InChI | MCULE-6846516221.inchi |
| InChIKey | MCULE-6846516221.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-870130158 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
| P-579805285 | Eximed | In-stock screening compounds | 90 | As is | 455 mg |
| P-580090030 | Eximed | Building Block Catalog | 95 | As is | 455 mg |
| P-870580569 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-870569299 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-13984948 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-620217508 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 455 mg |
| P-674810970 | Otava | In-House Stock Library | 90 | As is | 455 mg |
| P-13863845 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
| P-578101282 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 242.315 |
| logP | 2.5093 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 78.43 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 65.6482 |
| Atoms | 39 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
