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UNKNOWN STEREO
MCULE-6654861929
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6654861929.sdf |
| SMILES | MCULE-6654861929.smiles |
| Standard InChI | MCULE-6654861929.inchi |
| InChIKey | MCULE-6654861929.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-607677401 | ChemDiv | Discovery Chemistry Library | 90 | As is | 14 mg |
| P-428626926 | Eximed | In-stock screening compounds | 90 | As is | in stock |
| P-580040708 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-13801040 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-881183016 | Otava | In-House Stock Library | 90 | As is | 180 mg |
| P-445290806 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-2772474 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 131 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 387.501 |
| logP | 2.7674 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 118.69 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 108.8954 |
| Atoms | 52 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 25 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
