Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2446182171-0
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 | 34 USD | 90 | 19 working days | Get Quote |
| 5 mg | 35 USD | 95 | 14 working days | Get Quote |
| 10 mg | 41 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-1805719896-0
- Component type: Main
-
1
MCULE-4684386765-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2446182171-0.sdf |
| SMILES | MCULE-2446182171-0.smiles |
| Standard InChI | MCULE-2446182171-0.inchi |
| InChIKey | MCULE-2446182171-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852100151 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-889928624 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-615717343 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-675063427 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
| P-436446074 | Alinda | Building Blocks | 95 | Main component | 10 g |
| P-851583685 | AmBeed | On request | N/A | Main component | by synthesis |
| P-590820492 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-454691353 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-861538340 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-34793082 | Crea-Chim | HTS compounds | 90 | Main component | by resynthesis (? - ? days) |
| P-12565776 | InterBioScreen | Screening Compounds | 92 | Main component | unavailable |
| P-596590648 | Key Organics | Building Blocks | 90 | Main component | 500 mg |
| P-852396747 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854924985 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-23904005 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-885525678 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-873212737 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-22470164 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 111 mg |
| P-855238303 | Toronto Research | In stock | 90 | Main component | in stock |
| P-1328401 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 4.289 g |
| P-3235444 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 4.289 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 394.462 |
| logP | 4.3238 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 80.68 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 117.274 |
| Atoms | 55 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 26 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
