Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4216403860
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 | 252 USD | 90 | 30 working days | Get Quote |
| 5 mg | 304 USD | 90 | 30 working days | Get Quote |
| 10 mg | 367 USD | 90 | 30 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-3299185567
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4216403860.sdf |
| SMILES | MCULE-4216403860.smiles |
| Standard InChI | MCULE-4216403860.inchi |
| InChIKey | MCULE-4216403860.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886691300 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889992329 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-904626556 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903258441 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 1000 mg |
| P-851439530 | AmBeed | On request | N/A | As is | by synthesis |
| P-611207158 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-901495741 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-675311705 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-895480562 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-611547994 | Toronto Research | In stock | 90 | As is | in stock |
| P-893877269 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-872938102 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-867736906 | AmBeed | On request | N/A | Main component | by synthesis |
| P-605403660 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-890209931 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | Main component | in stock |
| P-579516123 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | 1000 mg |
| P-524173956 | Key Organics | Building Blocks | 95 | Main component | unavailable |
| P-895545923 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-491127395 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 212.674 |
| logP | 2.1706 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 69.11 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.4918 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
