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MCULE-8177044436
Compound
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- InChIKey:
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- InChI:
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| 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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 45 USD | 90 | 22 working days | Get Quote |
| 10 mg | 60 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8177044436.sdf |
| SMILES | MCULE-8177044436.smiles |
| Standard InChI | MCULE-8177044436.inchi |
| InChIKey | MCULE-8177044436.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596286562 | Asinex | General screening catalog | 90 | As is | 223 mg |
| P-4512871 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-3350588 | ChemDiv | Discovery Chemistry Library | 90 | As is | 25 mg |
| P-33535907 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-35080472 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 111 mg |
| P-424724797 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 142 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 349.451 |
| logP | 4.5292 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 70.0 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 110.6177 |
| Atoms | 44 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 19 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
