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MCULE-2072776991
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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-2072776991.sdf |
| SMILES | MCULE-2072776991.smiles |
| Standard InChI | MCULE-2072776991.inchi |
| InChIKey | MCULE-2072776991.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886194432 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-10692904 | ChemDiv | Discovery Chemistry Library | 90 | As is | 6 mg |
| P-492223430 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-14585867 | Life Chemicals | Screening Compounds | 90 | As is | 94 mg |
| P-19307026 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-454246082 | Specs | Screening Compounds | 90 | As is | 88 mg |
| P-33929087 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502356265 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-2378347 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 58 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 391.419 |
| logP | 4.0378 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 78.52 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 108.0562 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 21 |
| Heteroatoms | 7 |
| 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 |
