Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5792431352
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 | 34 USD | 90 | 23 working days | Get Quote |
| 5 mg | 54 USD | 90 | 19 working days | Get Quote |
| 10 mg | 68 USD | 90 | 23 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-5792431352.sdf |
| SMILES | MCULE-5792431352.smiles |
| Standard InChI | MCULE-5792431352.inchi |
| InChIKey | MCULE-5792431352.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860637066 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-901264835 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-606915937 | AmBeed | In stock | N/A | As is | in stock |
| P-489118420 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-895097153 | Angene | Building Blocks in stock | 97 | As is | 5 g |
| P-896022984 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-893280845 | BLD pharm | In-stock building blocks | 97 | As is | 15.4 g |
| P-607677580 | ChemDiv | Discovery Chemistry Library | 90 | As is | 47 mg |
| P-851243849 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861550896 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580428275 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-579804672 | Eximed | In-stock screening compounds | 90 | As is | 1.96 g |
| P-580089704 | Eximed | Building Block Catalog | 95 | As is | 1.96 g |
| P-502992502 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-870580314 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488544936 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-14014545 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-596594749 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-852502878 | Matrix Scientific | All | N/A | As is | in stock |
| P-854829630 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-26496054 | Otava | In-House Stock Library | 90 | As is | 1.96 g |
| P-492282812 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.96 g |
| P-454364340 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-856070960 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1.96 g |
| P-424861924 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-611541519 | Toronto Research | In stock | 90 | As is | in stock |
| P-3133133 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.006 g |
| P-464683518 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.006 g |
| P-481011860 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 211.214 |
| logP | 1.5756 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 92.78 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 54.0162 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
