Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5485227436
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 5 USD | 98 | 22 working days | Get Quote |
| 5 mg | 7 USD | 97 | 20 working days | Get Quote |
| 10 mg | 7 USD | 97 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-5485227436.sdf |
| SMILES | MCULE-5485227436.smiles |
| Standard InChI | MCULE-5485227436.inchi |
| InChIKey | MCULE-5485227436.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875727502 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-875764607 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-580699056 | BLD pharm | In-stock building blocks | 98 | As is | 100 g |
| P-28686 | Chemical Block | Screening Library | 90 | As is | 453 mg |
| P-851278163 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-896626809 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-863733018 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474025288 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608276157 | Molnova | Stock | 98 | As is | in stock |
| P-878648556 | Molnova | Stock | 98 | As is | in stock |
| P-893140324 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
| P-867567725 | A2B Chem | Predominantly Building Block in stock | 98 | As an isomer | in stock |
| P-867606441 | A2B Chem | Predominantly Building Block in stock | 98 | As an isomer | in stock |
| P-869192834 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-588246141 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-869317703 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-893543636 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As an isomer | 47.225 g |
| P-34912386 | Alinda | Stock Screening Compounds | 90 | As an isomer | in stock |
| P-606835795 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-851951624 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-596947990 | Angene | Building Blocks in stock | 97 | As an isomer | 2.47499 kg |
| P-865913446 | Angene | Building Blocks in stock | 98 | As an isomer | 27.2 g |
| P-580193777 | Apexbio Technology | Bioactive Compound Library | 98 | As an isomer | in stock |
| P-864202992 | AstaTech | In Stock BBs | 95 | As an isomer | in stock |
| P-893259235 | Biosynth | Synthesis | 95 | As an isomer | by synthesis |
| P-619931028 | ChemDiv | Building Blocks on demand | 90 | As an isomer | by synthesis |
| P-3299672 | ChemDiv | Discovery Chemistry Library | 90 | As an isomer | 486 mg |
| P-34818451 | Crea-Chim | HTS compounds | 90 | As an isomer | unavailable |
| P-862145022 | FluoroChem | General BB | 98 | As an isomer | in stock |
| P-870662872 | Glentham Life Sciences | Compounds maintained in stock | 98 | As an isomer | in stock |
| P-505491442 | Hangzhou Apichem | Building Blocks in stock | 95 | As an isomer | in stock |
| P-890850734 | Innovapharm | Screening Compounds | 90 | As an isomer | in stock |
| P-855953115 | Key Organics | Building Blocks | 97 | As an isomer | 25 g |
| P-31155334 | LaboTest | Screening Collection | 90 | As an isomer | 1000 mg |
| P-580507109 | Manchester Organics | Compounds on demand | N/A | As an isomer | by synthesis |
| P-881187011 | Otava | In-House Stock Library | 90 | As an isomer | 50 mg |
| P-24083996 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-885560414 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
| P-579710332 | Selleckchem | Product Catalog | N/A | As an isomer | in stock |
| P-869108160 | TargetMol | Screening Compounds - synthesis | 95 | As an isomer | by synthesis |
| P-869164571 | TargetMol | Screening Compounds - synthesis | 95 | As an isomer | by synthesis |
| P-892300518 | TargetMol | In Stock BB | 95 | As an isomer | unavailable |
| P-892286837 | TargetMol | In Stock BB | 95 | As an isomer | 1.002 g |
| P-888659707 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | 200 mg |
| P-888627196 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | 1.002 g |
| P-33443321 | TimTec | ActiMol 3 Week | 90 | As an isomer | in stock |
| P-502349546 | TimTec | Building Block Collection | 90 | As an isomer | in stock |
| P-596709495 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 1000 mg |
| P-611367489 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-611495756 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-1866225 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 382 mg |
| P-868514846 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 198.136 |
| logP | 1.8044 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 126.44 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 47.0861 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 6 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
