Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6164931243-0
Structure
Show compound
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 | 35 working days | Get Quote |
| 5 mg | 121 USD | 95 | 14 working days | Get Quote |
| 10 mg | 197 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.
-
1
MCULE-3299622446-0
- Component type: Main
-
1
MCULE-9920754312-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6164931243-0.sdf |
| SMILES | MCULE-6164931243-0.smiles |
| Standard InChI | MCULE-6164931243-0.inchi |
| InChIKey | MCULE-6164931243-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-904222440 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-904238917 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-886602726 | A2B Chem | Predominantly Building Block in stock | 99 | Main component | in stock |
| P-890155471 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-903137622 | Aaron Chemicals LLC | Predominantly Building Block | N/A | Main component | 50 mg |
| P-891666632 | AmBeed | On request | N/A | Main component | by synthesis |
| P-895099340 | Angene | Building Blocks in stock | N/A | Main component | 50 mg |
| P-889521068 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-608495352 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
| P-895182615 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-869108981 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-888627765 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-892891158 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-901316988 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-903401152 | Aaron Chemicals LLC | Predominantly Building Block | N/A | Main component as a main component | 100 mg |
| P-904321349 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 110 mg |
| P-886886293 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-895114319 | Angene | Building Blocks in stock | 99 | Main component as a main component | 10 mg |
| P-896037643 | AstaTech | Backordered BBs | 95 | Main component as a main component | by synthesis |
| P-890243230 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | 330 mg |
| P-873247365 | Key Organics | Building Blocks | 97 | Main component as a main component | 5 mg |
| P-854712297 | MedChemExpress | Screening compounds In stock | 95 | Main component as a main component | in stock |
| P-892257604 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-892296956 | TargetMol | In Stock BB | 95 | Main component as a main component | unavailable |
| P-892340813 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | 476 mg |
| P-596714754 | TimTec | ActiMol 1 Week - Stock | 90 | Main component as a main component | 25 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 509.928 |
| logP | 3.9572 |
| H-bond acceptors | 10 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 119.83 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 129.6938 |
| Atoms | 61 |
| Rings | 3 |
| Heavy atoms | 35 |
| Hydrogen atoms | 26 |
| Heteroatoms | 11 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
