Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5346059052
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 | 52 USD | 95 | 14 working days | Get Quote |
| 5 mg | 52 USD | 95 | 14 working days | Get Quote |
| 10 mg | 52 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.
| Name | File |
|---|---|
| SDF | MCULE-5346059052.sdf |
| SMILES | MCULE-5346059052.smiles |
| Standard InChI | MCULE-5346059052.inchi |
| InChIKey | MCULE-5346059052.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867627581 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875790458 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-851778792 | AmBeed | On request | N/A | As is | by synthesis |
| P-870064961 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-889520920 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-492266354 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-427973287 | ChemBridge | EXPRESS-Pick Collection | 85 | As is | 100 mg |
| P-868568669 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-861948507 | FluoroChem | General BB | N/A | As is | in stock |
| P-855948189 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852380419 | Matrix Scientific | All | N/A | As is | in stock |
| P-854714580 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-888653402 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869157310 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-873236693 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22508224 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 50 mg |
| P-611602659 | Toronto Research | In stock | 90 | As is | in stock |
| P-872758721 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 215.247 |
| logP | 2.363 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 49.33 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 64.7535 |
| Atoms | 29 |
| Rings | 3 |
| Heavy atoms | 16 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
