Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4295474686
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 | 31 USD | 98 | 22 working days | Get Quote |
| 5 mg | 31 USD | 98 | 22 working days | Get Quote |
| 10 mg | 31 USD | 98 | 22 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.
| Name | File |
|---|---|
| SDF | MCULE-4295474686.sdf |
| SMILES | MCULE-4295474686.smiles |
| Standard InChI | MCULE-4295474686.inchi |
| InChIKey | MCULE-4295474686.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867659247 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875827631 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-436473547 | Alinda | Building Blocks | 95 | As is | 15 g |
| P-454634974 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-861530344 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-516920740 | Eximed | Building Block Catalog | 95 | As is | 1.87 g |
| P-428631016 | Eximed | In-stock screening compounds | 90 | As is | 1.87 g |
| P-502967199 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-580005938 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-855977744 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-26436755 | Otava | In-House Stock Library | 90 | As is | 1.87 g |
| P-620225111 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.87 g |
| P-19518889 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-873228204 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22536731 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 200 mg |
| P-1258160 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 97 mg |
| P-894000477 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 400.424 |
| logP | 3.8544 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 14 |
| PSA | 113.96 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 105.0742 |
| Atoms | 53 |
| Rings | 2 |
| Heavy atoms | 29 |
| Hydrogen atoms | 24 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
