Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4712161118
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 | 16 working days | Get Quote |
| 5 mg | 9 USD | 98 | 16 working days | Get Quote |
| 10 mg | 15 USD | N/A | 10 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-4712161118.sdf |
| SMILES | MCULE-4712161118.smiles |
| Standard InChI | MCULE-4712161118.inchi |
| InChIKey | MCULE-4712161118.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867667677 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875835929 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-869244749 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606869030 | AmBeed | In stock | N/A | As is | in stock |
| P-596974007 | Angene | Building Blocks in stock | 98 | As is | 15 g |
| P-872725220 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-866726836 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-864173623 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-481173287 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 2.75 g |
| P-860056120 | AvaChem Scientific | All products | 98 | As is | by synthesis |
| P-851278876 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-580451367 | CliniSciences S.A.S | All products | 99 | As is | in stock |
| P-868563690 | Combi-Blocks | Building Block in stock | 96 | As is | in stock |
| P-579481079 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-889117931 | FluoroChem | In Stock BB | N/A | As is | 500 mg |
| P-675216167 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-579474605 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
| P-601071240 | Life Chemicals | Screening Compounds | 90 | As is | 15.827 g |
| P-468071652 | Life Chemicals | Building Blocks | 95 | As is | 15.827 g |
| P-580509735 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852501703 | Matrix Scientific | All | N/A | As is | in stock |
| P-854711484 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584618687 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608275102 | Molnova | Stock | 98 | As is | in stock |
| P-888875276 | PharmaBlock | In stock | N/A | As is | in stock |
| P-555283240 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579713048 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888657860 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869162494 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-502408416 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-615411886 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 254.168 |
| logP | 2.47326 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 81.2 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 55.2277 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 5 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
