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MCULE-1617091570
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 67 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1617091570.sdf |
| SMILES | MCULE-1617091570.smiles |
| Standard InChI | MCULE-1617091570.inchi |
| InChIKey | MCULE-1617091570.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-436444159 | Chemical Block | Building Blocks | 90 | As is | 65.5 g |
| P-345527 | Chemical Block | Screening Library | 90 | As is | 232 mg |
| P-852180105 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
| P-893361935 | ChemDiv | Pre-weighted stock BB | 90 | As an isomer | 1000 mg |
| P-454687255 | ChemDiv | Building Blocks in stock | 90 | As an isomer | in stock |
| P-15155453 | ChemDiv | Discovery Chemistry Library | 90 | As an isomer | 6 mg |
| P-34730899 | Crea-Chim | HTS compounds | 90 | As an isomer | by resynthesis (? - ? days) |
| P-24066241 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-502340906 | TimTec | Building Block Collection | 90 | As an isomer | in stock |
| P-873036463 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 3 mg |
| P-2145835 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 55 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.251 |
| logP | 1.9358 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 91.84 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 56.1243 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
