Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4424314409
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 | 5 USD | 98 | 20 working days | Get Quote |
| 5 mg | 5 USD | 98 | 20 working days | Get Quote |
| 10 mg | 5 USD | 98 | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-4424314409.sdf |
| SMILES | MCULE-4424314409.smiles |
| Standard InChI | MCULE-4424314409.inchi |
| InChIKey | MCULE-4424314409.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867573038 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875734149 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597023539 | AEchem | Building blocks | 95 | As is | in stock |
| P-597021033 | AEchem | Building blocks | 95 | As is | in stock |
| P-590394185 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606897777 | AmBeed | In stock | N/A | As is | in stock |
| P-489160081 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596950351 | Angene | Building Blocks in stock | 98 | As is | 1.82525 kg |
| P-494351812 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-864093714 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580725427 | BLD pharm | In-stock building blocks | 98 | As is | 180.5 g |
| P-893222869 | Biosynth | In Stock | 95 | As is | in stock |
| P-505605733 | Chemcia | Virtual compounds | 95 | As is | by synthesis |
| P-868567438 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-500249303 | Diverchim | Diverchim General Catalog | N/A | As is | in stock |
| P-889115354 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
| P-890221189 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-855379869 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 30 g |
| P-505535633 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454417403 | Key Organics | Building Blocks | 90 | As is | 5.501 g |
| P-18820148 | Key Organics | Screening Compounds and Fragments | 90 | As is | 5.501 g |
| P-579620171 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-860795758 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852485396 | Matrix Scientific | All | N/A | As is | in stock |
| P-854747194 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-888865994 | PharmaBlock | In stock | N/A | As is | in stock |
| P-889881369 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596742838 | Synthonix | In-stock Building Blocks | 97 | As is | 3.06325 kg |
| P-502404303 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611483278 | Toronto Research | In stock | 90 | As is | in stock |
| P-854646838 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 232.031 |
| logP | 2.8891 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 55.05 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 49.456 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| 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 |
