Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5104210695-0
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 | 8 USD | N/A | 9 working days | Get Quote |
| 5 mg | 8 USD | N/A | 9 working days | Get Quote |
| 10 mg | 8 USD | N/A | 9 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-5104210695-0.sdf |
| SMILES | MCULE-5104210695-0.smiles |
| Standard InChI | MCULE-5104210695-0.inchi |
| InChIKey | MCULE-5104210695-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867585549 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875743584 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590412818 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-869323705 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-875894016 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-851925021 | AmBeed | In stock | N/A | As is | in stock |
| P-489186787 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-597010121 | Angene | Building Blocks in stock | 98 | As is | 6 kg |
| P-589659227 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864208489 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-889740961 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 110 g |
| P-868613016 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-862052594 | FluoroChem | General BB | 95 | As is | in stock |
| P-494299914 | Frinton Laboratories | Frinton Building Blocks | 98 | As is | in stock |
| P-855983062 | Key Organics | Building Blocks | 97 | As is | 100 g |
| P-596564444 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-596567791 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-870639946 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-31251025 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-860793308 | Manchester Organics | Compounds on demand | 97 | As is | by synthesis |
| P-852550349 | Matrix Scientific | All | N/A | As is | in stock |
| P-854756092 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-885540779 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502332047 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855335991 | Toronto Research | In stock | 90 | As is | in stock |
| P-666977749 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 136.191 |
| logP | 1.7824 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 42.1838 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 12 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
