Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1619420167-1
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 | 11 USD | N/A | 9 working days | Get Quote |
| 5 mg | 17 USD | N/A | 9 working days | Get Quote |
| 10 mg | 17 USD | N/A | 9 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-4322904584-1
- Component type: Main
-
1
MCULE-6572487779-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1619420167-1.sdf |
| SMILES | MCULE-1619420167-1.smiles |
| Standard InChI | MCULE-1619420167-1.inchi |
| InChIKey | MCULE-1619420167-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869183037 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505351397 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-505389405 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-893527288 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.25 g |
| P-606909254 | AmBeed | In stock | N/A | As is | in stock |
| P-608426800 | Apollo Scientific | In Stock | 95 | As is | 1000 mg |
| P-864158430 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-860055955 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-871220304 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-851268373 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-860797707 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-868591732 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-901410903 | FluoroChem | General BB | N/A | As is | in stock |
| P-500417200 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-505528803 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524440167 | Key Organics | Biochemicals | 97 | As is | 20.636 g |
| P-854719132 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-896627561 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-474021904 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-500397752 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-579711318 | Selleck Biotechnology GmbH | Product Catalog | N/A | As is | in stock |
| P-869129942 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892291867 | TargetMol | In Stock BB | 95 | As is | 979 mg |
| P-888641951 | TargetMol | Screening Compounds - stock amount | 95 | As is | 979 mg |
| P-611468120 | Toronto Research | In stock | 90 | As is | in stock |
| P-860655104 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-851729925 | AmBeed | On request | N/A | Main component | by synthesis |
| P-615696100 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-870652264 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
| P-904639693 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-892265873 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892346235 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-854636871 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 494.520 |
| logP | 2.8429 |
| H-bond acceptors | 12 |
| H-bond donors | 4 |
| Rotatable bonds | 11 |
| PSA | 197.56 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 124.2851 |
| Atoms | 60 |
| Rings | 2 |
| Heavy atoms | 34 |
| Hydrogen atoms | 26 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
