Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8196554838
Compound
Show structures
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 | 54 USD | 95 | 22 working days | Get Quote |
| 5 mg | 104 USD | 95 | 14 working days | Get Quote |
| 10 mg | 167 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-1958485969
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8196554838.sdf |
| SMILES | MCULE-8196554838.smiles |
| Standard InChI | MCULE-8196554838.inchi |
| InChIKey | MCULE-8196554838.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872839814 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875871830 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-606934382 | AmBeed | In stock | N/A | As is | in stock |
| P-888828823 | Angene | Building Blocks in stock | 95 | As is | 813 mg |
| P-881038692 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-584627605 | BLD pharm | In-stock building blocks | 95 | As is | 813 mg |
| P-861381847 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-855927891 | Key Organics | Building Blocks | 97 | As is | 1 mg |
| P-895181527 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-617404302 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-892255346 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892339693 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-893995144 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-892882239 | A2B Chem | Predominantly Building Block in stock | N/A | Main component | in stock |
| P-890183629 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-893606799 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 100 mg |
| P-851436987 | AmBeed | On request | N/A | Main component | by synthesis |
| P-895107402 | Angene | Building Blocks in stock | N/A | Main component | 50 mg |
| P-590761140 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
| P-608495300 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
| P-675215452 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-888622115 | Key Organics | Building Blocks | 95 | Main component | 1 mg |
| P-895191783 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-888171258 | Molnova | On demand | 98 | Main component | by synthesis |
| P-869132152 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892292045 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-888642981 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 50 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 334.850 |
| logP | 4.9203 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 110.94 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 90.2407 |
| Atoms | 32 |
| Rings | 4 |
| Heavy atoms | 21 |
| Hydrogen atoms | 11 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
