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MCULE-8413316391-0
Structure
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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 | 35 USD | 90 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 working days | Get Quote |
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1
MCULE-8219304017-0
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8413316391-0.sdf |
| SMILES | MCULE-8413316391-0.smiles |
| Standard InChI | MCULE-8413316391-0.inchi |
| InChIKey | MCULE-8413316391-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-617326182 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-580759972 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-505497292 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-885541536 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-888602957 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-617794052 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 186 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 608.164 |
| logP | 7.6133 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 12 |
| PSA | 98.55 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 170.7033 |
| Atoms | 77 |
| Rings | 5 |
| Heavy atoms | 42 |
| Hydrogen atoms | 35 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
