Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4214463814
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 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-4214463814.sdf |
| SMILES | MCULE-4214463814.smiles |
| Standard InChI | MCULE-4214463814.inchi |
| InChIKey | MCULE-4214463814.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867566746 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875726691 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869186273 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-588246120 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-517093862 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851954018 | AmBeed | In stock | N/A | As is | in stock |
| P-489109023 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596975448 | Angene | Building Blocks in stock | 98 | As is | 200 g |
| P-893262851 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-868613479 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580303977 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862032929 | FluoroChem | General BB | N/A | As is | in stock |
| P-488553097 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-596566835 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
| P-596588233 | Key Organics | Building Blocks | 90 | As is | 500 g |
| P-855913811 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
| P-613281715 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580517422 | Manchester Organics | Stock compounds | 98 | As is | 1.5 kg |
| P-852510849 | Matrix Scientific | All | N/A | As is | in stock |
| P-899988195 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-620069776 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-620224468 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-454370221 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-579267559 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885524049 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-33802917 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502352966 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-23336673 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-3228418 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
| P-3027034 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
| P-893947389 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-666973815 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 167.001 |
| logP | 1.2445 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 30.9838 |
| Atoms | 14 |
| Rings | 0 |
| Heavy atoms | 7 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
