Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5499577546
Compound
Show structures
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 | 28 USD | 98 | 16 working days | Get Quote |
| 5 mg | 28 USD | 98 | 16 working days | Get Quote |
| 10 mg | 28 USD | 98 | 16 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.
-
MCULE-3651690230
- Component type: Unknown
-
MCULE-5533455092
- Component type: Main
-
MCULE-5865340445
- Component type: Main
-
MCULE-7109982898
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5499577546.sdf |
| SMILES | MCULE-5499577546.smiles |
| Standard InChI | MCULE-5499577546.inchi |
| InChIKey | MCULE-5499577546.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851817815 | AmBeed | On request | N/A | As is | by synthesis |
| P-619598241 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-861285905 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-870662751 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-500418735 | Glentham Life Sciences | Compounds typically in stock | 99 | As is | in stock |
| P-890851621 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-890851929 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-890852104 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-890849634 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-596563046 | Key Organics | Building Blocks | 95 | As is | 100 g |
| P-31163206 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-608280070 | Molnova | Stock | 98 | As is | in stock |
| P-881189273 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-881188548 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-881189751 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-491251648 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-904202626 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502333718 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-33162098 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-893968920 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-893834140 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-893135926 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-852093132 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-870653863 | Glentham Life Sciences | Compounds typically in stock | 99 | As a main component | in stock |
| P-855910199 | Key Organics | Building Blocks | 98 | As a main component | 100 g |
| P-856012596 | LaboTest | Screening Collection | 90 | As a main component | 500 mg |
| P-885544988 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| P-888665470 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
| P-896187840 | Specs | Screening Compounds | 90 | As a main component | unavailable |
| P-902709568 | Specs | Natural Products | 80 | As a main component | unavailable |
| P-617742081 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 290 mg |
| P-489183082 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 323.197 |
| logP | -1.8648 |
| H-bond acceptors | 11 |
| H-bond donors | 5 |
| Rotatable bonds | 4 |
| PSA | 187.17 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 66.7581 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 14 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
