Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1566561180-0
Structure
Show compound
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 | 5 USD | 98 | 22 working days | Get Quote |
| 10 mg | 5 USD | 98 | 22 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.
-
1
MCULE-7440963355-0
- Component type: Main
-
1
MCULE-1176533515-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1566561180-0.sdf |
| SMILES | MCULE-1566561180-0.smiles |
| Standard InChI | MCULE-1566561180-0.inchi |
| InChIKey | MCULE-1566561180-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867569882 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875729328 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-580239997 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
| P-851597253 | AmBeed | On request | N/A | Main component | by synthesis |
| P-606841884 | AmBeed | In stock | N/A | Main component | in stock |
| P-596930180 | Angene | Building Blocks in stock | 99 | Main component | 2 kg |
| P-864215424 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-864184972 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-893222698 | Biosynth | In Stock | 95 | Main component | in stock |
| P-893251985 | Biosynth | Synthesis | 95 | Main component | by synthesis |
| P-577214031 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 2 mg |
| P-492273192 | Eximed | Building Block Catalog | 95 | Main component | 10.21 g |
| P-428629421 | Eximed | In-stock screening compounds | 90 | Main component | 10.21 g |
| P-594269241 | Eximed | In-stock screening compounds | 90 | Main component | 15.88 g |
| P-505512808 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-580044870 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-580006348 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-488555375 | InterBioScreen | Bioactive compounds | 92 | Main component | in stock |
| P-488543858 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
| P-855384107 | Life Chemicals | Screening Compounds | 90 | Main component | in stock |
| P-613276044 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-34065435 | Otava | In-House Stock Library | 90 | Main component | 10.21 g |
| P-620237472 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 10.21 g |
| P-454363784 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
| P-500375695 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-892215281 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892287467 | TargetMol | In Stock BB | 95 | Main component | 1.004 g |
| P-892311523 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 1.004 g |
| P-611511401 | Toronto Research | In stock | 90 | Main component | in stock |
| P-855249328 | Toronto Research | In stock | 90 | Main component | in stock |
| P-464682048 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 1.51 g |
| P-2376674 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 1.51 g |
| P-615433737 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 416.517 |
| logP | 3.7769 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 166.48 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 110.608 |
| Atoms | 51 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 24 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
