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UNKNOWN STEREO
MCULE-3993462744
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 | 49 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-3993462744.sdf |
| SMILES | MCULE-3993462744.smiles |
| Standard InChI | MCULE-3993462744.inchi |
| InChIKey | MCULE-3993462744.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-449239748 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
| P-428579714 | Eximed | In-stock screening compounds | 90 | As is | 1000 mg |
| P-502958285 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-13931786 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-12395248 | Otava | In-House Stock Library | 90 | As is | 40 mg |
| P-578060808 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 460.477 |
| logP | 3.6532 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 121.63 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 126.9122 |
| Atoms | 58 |
| Rings | 5 |
| Heavy atoms | 34 |
| Hydrogen atoms | 24 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
