Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4056323422
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 | 69 USD | 95 | 9 working days | Get Quote |
| 5 mg | 110 USD | N/A | 15 working days | Get Quote |
| 10 mg | 218 USD | 98 | 16 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-5969299498
- Component type: Main
-
1
MCULE-4223142955
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4056323422.sdf |
| SMILES | MCULE-4056323422.smiles |
| Standard InChI | MCULE-4056323422.inchi |
| InChIKey | MCULE-4056323422.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886626706 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-890161202 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-613852654 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-893606333 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 300 mg |
| P-889751084 | AmBeed | On request | N/A | Main component | by synthesis |
| P-895102017 | Angene | Building Blocks in stock | 98 | Main component | 100 mg |
| P-890229987 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
| P-871219884 | BOC Sciences | All products | N/A | Main component | by resynthesis (? - ? days) |
| P-893225393 | Biosynth | In Stock | 95 | Main component | in stock |
| P-870652314 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
| P-888621695 | Key Organics | Building Blocks | 95 | Main component | 5 mg |
| P-895183177 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-896628315 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-878647160 | Molnova | Stock | 98 | Main component | in stock |
| P-869126596 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892290988 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-888639938 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 75 mg |
| P-611459305 | Toronto Research | In stock | 90 | Main component | in stock |
| P-867387430 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-890055441 | AA Blocks | AA Blocks - synthesis | N/A | Main component as a main component | by synthesis |
| P-899785204 | Key Organics | Building Blocks | 97 | Main component as a main component | 5 mg |
| P-895194167 | MedChemExpress | Screening compounds on demand | 95 | Main component as a main component | by synthesis |
| P-617403312 | Selleckchem | Product Catalog | N/A | Main component as a main component | in stock |
| P-869137297 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-888645154 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 552.574 |
| logP | 2.4368 |
| H-bond acceptors | 13 |
| H-bond donors | 6 |
| Rotatable bonds | 11 |
| PSA | 228.47 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 146.1588 |
| Atoms | 75 |
| Rings | 3 |
| Heavy atoms | 39 |
| Hydrogen atoms | 36 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 2 |
| 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 |
