Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5460065237
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 | 32 USD | 95 | 14 working days | Get Quote |
| 5 mg | 32 USD | 95 | 14 working days | Get Quote |
| 10 mg | 38 USD | 95 | 7 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.
-
MCULE-4112207990
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5460065237.sdf |
| SMILES | MCULE-5460065237.smiles |
| Standard InChI | MCULE-5460065237.inchi |
| InChIKey | MCULE-5460065237.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892910044 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-4221071 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 12 mg |
| P-895196270 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-869163790 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888659099 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-33216659 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-611524360 | Toronto Research | In stock | 90 | As is | in stock |
| P-893934366 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-867569903 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-875729227 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-869302377 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-893610396 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 300 mg |
| P-596930243 | Angene | Building Blocks in stock | 95 | As a main component | 200 mg |
| P-896023794 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-579481506 | DC Chemicals Limited | Stock Products | 95 | As a main component | in stock |
| P-855917102 | Key Organics | Building Blocks | 95 | As a main component | 5 mg |
| P-895183785 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-474025250 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-878642939 | Molnova | Stock | 98 | As a main component | in stock |
| P-869163789 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-892299928 | TargetMol | In Stock BB | 95 | As a main component | unavailable |
| P-888659098 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 150 mg |
| P-575318041 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 224.256 |
| logP | 2.5403 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 78.08 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 63.4215 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
