Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4085497176
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 | 14 USD | 95 | 22 working days | Get Quote |
| 5 mg | 14 USD | 95 | 22 working days | Get Quote |
| 10 mg | 14 USD | 95 | 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.
-
MCULE-9741570389
- Component type: Main
-
MCULE-6091263016
- Component type: Main
-
MCULE-8823740938
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4085497176.sdf |
| SMILES | MCULE-4085497176.smiles |
| Standard InChI | MCULE-4085497176.inchi |
| InChIKey | MCULE-4085497176.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-864115347 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-4373127 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-851258485 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861285140 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-580441206 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-505545289 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-852530167 | Matrix Scientific | All | N/A | As is | in stock |
| P-579714680 | Paragos | In-stock compounds | N/A | As is | in stock |
| P-867573920 | A2B Chem | Predominantly Building Block in stock | 97 | As a main component | in stock |
| P-875733969 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-580239792 | Aldlab Chemicals | Building Block Custom Synth | 95 | As a main component | by synthesis |
| P-489209479 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
| P-596975626 | Angene | Building Blocks in stock | 97 | As a main component | 125 g |
| P-889444218 | AstaTech | Backordered BBs | 97 | As a main component | by synthesis |
| P-864113680 | AstaTech | In Stock BBs | 97 | As a main component | in stock |
| P-505578393 | Bosche Scientific | Bosche Products | 98 | As a main component | in stock |
| P-878235965 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-580433538 | Debye Scientific | General Catalog | 95 | As a main component | by resynthesis (? - ? days) |
| P-580386359 | Debye Scientific | General Catalog | N/A | As a main component | by resynthesis (? - ? days) |
| P-869382474 | Manchester Organics | Compounds on demand | N/A | As a main component | by synthesis |
| P-852442061 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-864076575 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| P-675076682 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
| P-611474913 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-615400283 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 190.284 |
| logP | 1.3098 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 6.48 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 66.951 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
