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MCULE-4966369686
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 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 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-4966369686.sdf |
| SMILES | MCULE-4966369686.smiles |
| Standard InChI | MCULE-4966369686.inchi |
| InChIKey | MCULE-4966369686.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-19999562 | Alinda | Stock Screening Compounds | 90 | As an isomer | in stock |
| P-6338183 | ChemBridge | EXPRESS-Pick Collection | 90 | As an isomer | 25 mg |
| P-4485994 | ChemDiv | Discovery Chemistry Library | 90 | As an isomer | unavailable |
| P-34769564 | Crea-Chim | HTS compounds | 90 | As an isomer | by resynthesis (? - ? days) |
| P-632774380 | Otava | Tangible screening compounds | 90 | As an isomer | by synthesis |
| P-23899678 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-22913190 | TimTec | ActiMol 3 Week | 90 | As an isomer | in stock |
| P-888553976 | TimTec | ActiMol 4 Week - On demand | 94 | As an isomer | by resynthesis (? - ? days) |
| P-1079051 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 125 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 258.272 |
| logP | 2.7165 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 64.36 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 71.8857 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
