Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1804591976-0
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 | 5 USD | 98 | 22 working days | Get Quote |
| 5 mg | 5 USD | 98 | 22 working days | Get Quote |
| 10 mg | 5 USD | 98 | 22 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-1408232727-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1804591976-0.sdf |
| SMILES | MCULE-1804591976-0.smiles |
| Standard InChI | MCULE-1804591976-0.inchi |
| InChIKey | MCULE-1804591976-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33224224 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-617741706 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 8.43 g |
| P-617711839 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 8.43 g |
| P-867563629 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875722812 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-597017065 | AEchem | Building blocks | 98 | Main component | in stock |
| P-505351885 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-881671034 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-580198935 | Aldlab Chemicals | Building Block Stock | 95 | Main component | 5 g |
| P-517095538 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
| P-608155758 | Alinda | Building Blocks | 95 | Main component | 25 g |
| P-606860864 | AmBeed | In stock | N/A | Main component | in stock |
| P-489149249 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-596945969 | Angene | Building Blocks in stock | 98 | Main component | 2.5 kg |
| P-895925693 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-864140884 | AstaTech | In Stock BBs | 97 | Main component | in stock |
| P-889749646 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | Main component | 28 g |
| P-580696991 | BLD pharm | In-stock building blocks | 98 | Main component | 1.085 kg |
| P-619932378 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
| P-449253400 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 5 mg |
| P-851248725 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868577658 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-862017383 | FluoroChem | General BB | 95 | Main component | in stock |
| P-870661409 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
| P-505493207 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-502687316 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-524162942 | Key Organics | Building Blocks | 98 | Main component | 100 g |
| P-31129399 | LaboTest | Screening Collection | 90 | Main component | unavailable |
| P-580510957 | Manchester Organics | Stock compounds | 95 | Main component | 1000 g |
| P-852518932 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854737412 | MedChemExpress | Building Blocks in stock | 95 | Main component | in stock |
| P-12328650 | Otava | In-House Stock Library | 90 | Main component | 12 mg |
| P-885546475 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-12388005 | Specs | Screening Compounds | 90 | Main component | 3.155 g |
| P-502357915 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-22535548 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 1000 mg |
| P-677871720 | Ultimate 3P | Express 1 | 90 | Main component | unavailable |
| P-893987664 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 230.691 |
| logP | 4.0319 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 28.68 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 68.4947 |
| Atoms | 27 |
| Rings | 3 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
