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MCULE-4181995413
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 |
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| Name | File |
|---|---|
| SDF | MCULE-4181995413.sdf |
| SMILES | MCULE-4181995413.smiles |
| Standard InChI | MCULE-4181995413.inchi |
| InChIKey | MCULE-4181995413.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-577185353 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
| P-6004 | Chemical Block | Screening Library | 90 | As is | 135 mg |
| P-34656800 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-24014382 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-453950125 | Specs | Screening Compounds | 90 | As is | 1 mg |
| P-22562469 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-875282733 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 10 mg |
| P-2151021 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 111 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 419.346 |
| logP | 6.131 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 96.25 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 93.2086 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 11 |
| Heteroatoms | 11 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |
