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MCULE-9682552593-0
Structure
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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 | 95 | 14 working days | Get Quote |
| 10 mg | 41 USD | 95 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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2
MCULE-8797981876-0
- Component type: Main
-
1
MCULE-3867000095-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9682552593-0.sdf |
| SMILES | MCULE-9682552593-0.smiles |
| Standard InChI | MCULE-9682552593-0.inchi |
| InChIKey | MCULE-9682552593-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-503880305 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-867635313 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-875800478 | AA Blocks | AA Blocks | N/A | Main component | in stock |
| P-612936288 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-888188547 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
| P-19980033 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
| P-436448507 | Alinda | Building Blocks | 95 | Main component | 10 g |
| P-851879531 | AmBeed | On request | N/A | Main component | by synthesis |
| P-591038955 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-492247996 | ChemBridge | Building Block Library | 95 | Main component | in stock |
| P-454697646 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-874587661 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 481 mg |
| P-868636546 | Combi-Blocks | Building Block in stock | 95 | Main component | in stock |
| P-34504031 | Crea-Chim | HTS compounds | 90 | Main component | by resynthesis (? - ? days) |
| P-861975139 | FluoroChem | General BB | N/A | Main component | in stock |
| P-596590226 | Key Organics | Building Blocks | 90 | Main component | 500 mg |
| P-588250955 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-852392750 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854922567 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-885525480 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-18886318 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-22643619 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-502330033 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-888461063 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-611598739 | Toronto Research | In stock | 90 | Main component | in stock |
| P-491022 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 6.373 g |
| P-3233946 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 6.373 g |
| P-3243106 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | Main component | 6.373 g |
| P-872760889 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 566.600 |
| logP | 2.4172 |
| H-bond acceptors | 14 |
| H-bond donors | 8 |
| Rotatable bonds | 13 |
| PSA | 243.76 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 143.2694 |
| Atoms | 78 |
| Rings | 2 |
| Heavy atoms | 40 |
| Hydrogen atoms | 38 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
