Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4102991502-0
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 | 57 USD | 95 | 12 working days | Get Quote |
| 5 mg | 57 USD | 95 | 12 working days | Get Quote |
| 10 mg | 57 USD | 95 | 12 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-5091188677-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4102991502-0.sdf |
| SMILES | MCULE-4102991502-0.smiles |
| Standard InChI | MCULE-4102991502-0.inchi |
| InChIKey | MCULE-4102991502-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875781469 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590361030 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610979994 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 12.8 g |
| P-851708631 | AmBeed | On request | N/A | As is | by synthesis |
| P-596994664 | Angene | Building Blocks in stock | 95 | As is | 5 g |
| P-864089015 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-590899445 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-861550924 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-862035518 | FluoroChem | General BB | N/A | As is | in stock |
| P-454397308 | Key Organics | Building Blocks | 95 | As is | 3.37 g |
| P-18814488 | Key Organics | Screening Compounds and Fragments | 95 | As is | 3.37 g |
| P-615636363 | LabNetwork | In stock | 95 | As is | in stock |
| P-852434970 | Matrix Scientific | All | N/A | As is | in stock |
| P-854809666 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-855311104 | Toronto Research | In stock | 90 | As is | in stock |
| P-580231961 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
| P-851729561 | AmBeed | On request | N/A | Main component | by synthesis |
| P-864249126 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-590935130 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-889420562 | FluoroChem | General BB | N/A | Main component | in stock |
| P-890217514 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | Main component | in stock |
| P-590339945 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | in stock |
| P-502443308 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-855915730 | Key Organics | Building Blocks | 97 | Main component | 1000 mg |
| P-864068955 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-491074021 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-851695205 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-611188413 | BLD pharm | Non-stock building blocks | 95 | Main component as a main component | by synthesis |
| P-854941349 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 250.118 |
| logP | 3.4052 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.7964 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
