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MCULE-3978853922
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 | 48 USD | 90 | 21 working days | Get Quote |
| 5 mg | 77 USD | 90 | 21 working days | Get Quote |
| 10 mg | 92 USD | 90 | 21 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-3978853922.sdf |
| SMILES | MCULE-3978853922.smiles |
| Standard InChI | MCULE-3978853922.inchi |
| InChIKey | MCULE-3978853922.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886046285 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-6581651 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-503083311 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502611826 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-14194861 | Life Chemicals | Screening Compounds | 90 | As is | 111 mg |
| P-13148643 | Otava | In-House Stock Library | 90 | As is | 95 mg |
| P-902793028 | Specs | Natural Products | 80 | As is | 22 mg |
| P-12373727 | Specs | Screening Compounds | 90 | As is | 22 mg |
| P-33462409 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 466.580 |
| logP | 4.7216 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 139.13 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 127.6022 |
| Atoms | 54 |
| Rings | 5 |
| Heavy atoms | 32 |
| Hydrogen atoms | 22 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
