Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4179834889
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 | 26 USD | 98 | 20 working days | Get Quote |
| 5 mg | 26 USD | 98 | 20 working days | Get Quote |
| 10 mg | 26 USD | 98 | 20 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.
-
2
MCULE-9107559647
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4179834889.sdf |
| SMILES | MCULE-4179834889.smiles |
| Standard InChI | MCULE-4179834889.inchi |
| InChIKey | MCULE-4179834889.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867540842 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875697108 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-903020369 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 5 g |
| P-851608846 | AmBeed | On request | N/A | As is | by synthesis |
| P-596986339 | Angene | Building Blocks in stock | 98 | As is | 1000 mg |
| P-864176232 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-590934226 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-893255196 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-901650008 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-524168131 | Key Organics | Building Blocks | 98 | As is | 1000 mg |
| P-864064515 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-885536043 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611453696 | Toronto Research | In stock | 90 | As is | in stock |
| P-615411177 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-901275351 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-590375592 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-903168653 | Aaron Chemicals LLC | Predominantly Building Block | 98 | Main component | 35 g |
| P-851597082 | AmBeed | On request | N/A | Main component | by synthesis |
| P-895101919 | Angene | Building Blocks in stock | 98 | Main component | 35 g |
| P-589657351 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-864232648 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-590924964 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-901416648 | Biosynth | Synthesis | 95 | Main component | by synthesis |
| P-868608819 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-563570508 | Key Organics | Building Blocks | 95 | Main component | 1000 mg |
| P-596548337 | Key Organics | Screening Compounds and Fragments | 95 | Main component | 100 mg |
| P-579654791 | LabSeeker, Inc | On demand Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-869025131 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-611453695 | Toronto Research | In stock | 90 | Main component | in stock |
| P-893730800 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 372.439 |
| logP | 4.222 |
| H-bond acceptors | 8 |
| H-bond donors | 6 |
| Rotatable bonds | 4 |
| PSA | 147.5 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 99.377 |
| Atoms | 49 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 24 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| 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 |
