Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4012466788
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 | 12 USD | 95 | 20 working days | Get Quote |
| 5 mg | 12 USD | 95 | 20 working days | Get Quote |
| 10 mg | 12 USD | 95 | 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-4012466788.sdf |
| SMILES | MCULE-4012466788.smiles |
| Standard InChI | MCULE-4012466788.inchi |
| InChIKey | MCULE-4012466788.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867549629 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875706921 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590373726 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-893574867 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 236 g |
| P-436461829 | Alinda | Building Blocks | 95 | As is | 7 g |
| P-425204594 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606894559 | AmBeed | In stock | N/A | As is | in stock |
| P-489186616 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-619139426 | Angene | Building Blocks in stock | 95 | As is | 35 g |
| P-579786610 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864192833 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-606956253 | BLD pharm | In-stock building blocks | 95 | As is | 12.35 g |
| P-454713325 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-3289252 | ChemDiv | Discovery Chemistry Library | 90 | As is | 466 mg |
| P-868618746 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580297405 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889110640 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
| P-502603174 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492220300 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-454378997 | Key Organics | Building Blocks | 95 | As is | 2.1 g |
| P-18794480 | Key Organics | Screening Compounds and Fragments | 95 | As is | 2.1 g |
| P-889735829 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-856018328 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-613276351 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852432800 | Matrix Scientific | All | N/A | As is | in stock |
| P-35241153 | Maybridge | Screening Collection | 90 | As is | 5.189 kg |
| P-863707791 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-26415352 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-18838182 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889876253 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-896168041 | Specs | Screening Compounds | 90 | As is | 37 mg |
| P-12309741 | Specs | Screening Compounds | 90 | As is | 802 mg |
| P-502354723 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611402762 | Toronto Research | In stock | 90 | As is | in stock |
| P-615449229 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 177.225 |
| logP | 2.4989 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 58.2 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.8145 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
