Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4144543872
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 | 6 USD | 97 | 20 working days | Get Quote |
| 5 mg | 6 USD | 97 | 20 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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-4144543872.sdf |
| SMILES | MCULE-4144543872.smiles |
| Standard InChI | MCULE-4144543872.inchi |
| InChIKey | MCULE-4144543872.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867562936 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875722480 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869184848 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505351837 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606911235 | AmBeed | In stock | N/A | As is | in stock |
| P-489118111 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596928152 | Angene | Building Blocks in stock | 97 | As is | 422 g |
| P-494319740 | Apollo Scientific | In Stock | 95 | As is | 75.1 g |
| P-864108524 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-481171825 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 162 g |
| P-580732928 | BLD pharm | In-stock building blocks | 98 | As is | in stock |
| P-505574458 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-878240158 | CHESS Chem | All products | 97 | As is | in stock |
| P-868362200 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868589733 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580286848 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-889110607 | FluoroChem | In Stock BB | N/A | As is | 10 g |
| P-500418662 | Glentham Life Sciences | Compounds typically in stock | 97 | As is | in stock |
| P-505496448 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454394123 | Key Organics | Building Blocks | 97 | As is | 14.323 g |
| P-18813295 | Key Organics | Screening Compounds and Fragments | 97 | As is | 4.743 g |
| P-615648660 | LabNetwork | In stock | 95 | As is | in stock |
| P-31258646 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-613281570 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580513220 | Manchester Organics | Stock compounds | 97 | As is | 1.8 kg |
| P-852379736 | Matrix Scientific | All | N/A | As is | in stock |
| P-428009047 | Maybridge | Screening Collection | 95 | As is | 1.26 kg |
| P-854731994 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-888862079 | PharmaBlock | In stock | N/A | As is | in stock |
| P-500382021 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-885516798 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596756354 | Synthonix | In-stock Building Blocks | 98 | As is | 36.909 kg |
| P-502362320 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855044504 | Toronto Research | In stock | 90 | As is | in stock |
| P-481006675 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 181.541 |
| logP | 2.7538 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 12.89 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 34.249 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 3 |
| Heteroatoms | 5 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
