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MCULE-3044753998-0
Structure
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- InChIKey:
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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 | 34 USD | 90 | 19 working days | Get Quote |
| 5 mg | 51 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3044753998-0.sdf |
| SMILES | MCULE-3044753998-0.smiles |
| Standard InChI | MCULE-3044753998-0.inchi |
| InChIKey | MCULE-3044753998-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596448124 | Asinex | General screening catalog | 90 | As is | 40 mg |
| P-596517181 | Asinex | General bb catalog | 90 | As is | 40 mg |
| P-3393408 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
| P-6226841 | ChemDiv | Discovery Chemistry Library | 90 | As is | 70 mg |
| P-292028 | Chemical Block | Screening Library | 90 | As is | 39 mg |
| P-34715395 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-24057625 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-1406890 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 44 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 318.393 |
| logP | 2.6244 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 108.35 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 87.1905 |
| Atoms | 40 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
