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MCULE-4956078954
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.
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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 | 33 USD | 90 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 64 USD | 90 | 17 working days | Get Quote |
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1
MCULE-3428619867
- Component type: Main
-
1
MCULE-5852208511
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4956078954.sdf |
| SMILES | MCULE-4956078954.smiles |
| Standard InChI | MCULE-4956078954.inchi |
| InChIKey | MCULE-4956078954.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-854068836 | InterBioScreen | Screening Compounds | 92 | As is | 210 mg |
| P-13789852 | Pharmeks LLC | Synthetic compounds | 92 | As is | 220 mg |
| P-596286729 | Asinex | General screening catalog | 90 | Main component | 271 mg |
| P-596508879 | Asinex | General bb catalog | 90 | Main component | 271 mg |
| P-13357875 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
| P-424418148 | Otava | In-House Stock Library | 90 | Main component | 116 mg |
| P-617710331 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 116 mg |
| P-13455429 | Pharmeks LLC | Synthetic compounds | 92 | Main component | 300 mg |
| P-520072218 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-1708443 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 314 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 488.493 |
| logP | -0.9656 |
| H-bond acceptors | 13 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 190.45 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 132.0555 |
| Atoms | 63 |
| Rings | 4 |
| Heavy atoms | 35 |
| Hydrogen atoms | 28 |
| Heteroatoms | 13 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
