Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1693368577
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 | 10 USD | 95 | 14 working days | Get Quote |
| 5 mg | 10 USD | 95 | 14 working days | Get Quote |
| 10 mg | 10 USD | 95 | 14 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-6332021678
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1693368577.sdf |
| SMILES | MCULE-1693368577.smiles |
| Standard InChI | MCULE-1693368577.inchi |
| InChIKey | MCULE-1693368577.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885961899 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-894673207 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-4291919 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-675338073 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-854948094 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-886695830 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-890179114 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-894673215 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-893582377 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 46.071 g |
| P-873298839 | Angene | Building Blocks in stock | 95 | Main component | 10 g |
| P-895952673 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-869392920 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-887188719 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-889427808 | FluoroChem | General BB | 98 | Main component | in stock |
| P-502531427 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-863717076 | MedChemExpress | Building Blocks in stock | 95 | Main component | in stock |
| P-888895814 | PharmaBlock | In stock | N/A | Main component | in stock |
| P-886895369 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 295.802 |
| logP | 3.7704 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 41.49 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 85.4035 |
| Atoms | 42 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 22 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
