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MCULE-4468318319
Compound
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- InChIKey:
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- 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 | 89 USD | 90 | 17 working days | Get Quote |
| 5 mg | 132 USD | 90 | 35 working days | Get Quote |
| 10 mg | 132 USD | 90 | 35 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4468318319.sdf |
| SMILES | MCULE-4468318319.smiles |
| Standard InChI | MCULE-4468318319.inchi |
| InChIKey | MCULE-4468318319.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596447985 | Asinex | General screening catalog | 90 | As is | 59 mg |
| P-619291531 | ChemDiv | Discovery Chemistry Library | 90 | As is | 3 mg |
| P-297715 | Chemical Block | Screening Library | 90 | As is | unavailable |
| P-861293363 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-656798984 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-13213652 | Specs | Screening Compounds | 90 | As is | 256 mg |
| P-873097835 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-873059409 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 403.853 |
| logP | 4.2643 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 79.98 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 108.7423 |
| Atoms | 50 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 22 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
