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MCULE-4175171456
Compound
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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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 50 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4175171456.sdf |
| SMILES | MCULE-4175171456.smiles |
| Standard InChI | MCULE-4175171456.inchi |
| InChIKey | MCULE-4175171456.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893062499 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-596418181 | Asinex | General screening catalog | 90 | As is | 5 mg |
| P-4344242 | ChemDiv | Discovery Chemistry Library | 90 | As is | 28 mg |
| P-502657834 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-503060735 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-12777427 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-13023357 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-18873409 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-454173032 | Specs | Screening Compounds | 90 | As is | 16 mg |
| P-1922674 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 210 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 417.460 |
| logP | 2.2382 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 101.48 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 117.7349 |
| Atoms | 54 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 23 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
