Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8377450478-0
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 | 48 USD | 90 | 21 working days | Get Quote |
| 5 mg | 72 USD | 90 | 21 working days | Get Quote |
| 10 mg | 84 USD | 90 | 21 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-4886059492-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8377450478-0.sdf |
| SMILES | MCULE-8377450478-0.smiles |
| Standard InChI | MCULE-8377450478-0.inchi |
| InChIKey | MCULE-8377450478-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886682933 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889984802 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869266517 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851703765 | AmBeed | On request | N/A | As is | by synthesis |
| P-611162354 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-889339819 | FluoroChem | General BB | N/A | As is | in stock |
| P-854872038 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-611573254 | Toronto Research | In stock | 90 | As is | in stock |
| P-893811659 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-867674272 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-875849488 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869333157 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-893526093 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 133 g |
| P-851795747 | AmBeed | On request | N/A | Main component | by synthesis |
| P-864141842 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-591086643 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-861349066 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-862137218 | FluoroChem | General BB | N/A | Main component | in stock |
| P-890209796 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | Main component | in stock |
| P-579515978 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | 1000 mg |
| P-502571472 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-524173826 | Key Organics | Building Blocks | 95 | Main component | unavailable |
| P-895529569 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-893669160 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 166.648 |
| logP | 2.1918 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 69.11 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 43.5738 |
| Atoms | 25 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 15 |
| 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 |
