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MCULE-3949561308
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 | 45 USD | 90 | 23 working days | Get Quote |
| 5 mg | 73 USD | 90 | 23 working days | Get Quote |
| 10 mg | 88 USD | 90 | 23 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3949561308.sdf |
| SMILES | MCULE-3949561308.smiles |
| Standard InChI | MCULE-3949561308.inchi |
| InChIKey | MCULE-3949561308.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596387879 | Asinex | General screening catalog | 90 | As is | 140 mg |
| P-5372986 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-3913747 | ChemDiv | Discovery Chemistry Library | 90 | As is | 41 mg |
| P-503131362 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-856026233 | LaboTest | Screening Collection | 90 | As is | 250 mg |
| P-631811324 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-12805036 | Otava | In-House Stock Library | 90 | As is | 124 mg |
| P-617696471 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 124 mg |
| P-33713385 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 316.356 |
| logP | 3.05328 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 72.78 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 96.4967 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
