Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5951023488
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 | 22 USD | 93 | 20 working days | Get Quote |
| 5 mg | 22 USD | 93 | 20 working days | Get Quote |
| 10 mg | 22 USD | 93 | 20 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-5951023488.sdf |
| SMILES | MCULE-5951023488.smiles |
| Standard InChI | MCULE-5951023488.inchi |
| InChIKey | MCULE-5951023488.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867575626 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875735664 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590360248 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851713090 | AmBeed | On request | N/A | As is | by synthesis |
| P-489201137 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-865908937 | Angene | Building Blocks in stock | 93 | As is | 500 g |
| P-591076528 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-862032514 | FluoroChem | General BB | 95 | As is | in stock |
| P-596586510 | Key Organics | Building Blocks | 90 | As is | 100 g |
| P-588253274 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852467768 | Matrix Scientific | All | N/A | As is | in stock |
| P-854926266 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-19538998 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885522852 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-33219386 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-3218789 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.335 g |
| P-1283446 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.335 g |
| P-615409810 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 250.376 |
| logP | 4.473 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 40.46 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 78.642 |
| Atoms | 44 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 26 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
