Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9983485120
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 | 13 USD | 97 | 20 working days | Get Quote |
| 5 mg | 13 USD | 97 | 20 working days | Get Quote |
| 10 mg | 13 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-9983485120.sdf |
| SMILES | MCULE-9983485120.smiles |
| Standard InChI | MCULE-9983485120.inchi |
| InChIKey | MCULE-9983485120.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875689025 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869192815 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505388526 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851945181 | AmBeed | In stock | N/A | As is | in stock |
| P-489173148 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596986147 | Angene | Building Blocks in stock | 97 | As is | 153 g |
| P-864176285 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-481187966 | Atlantic Research Chemicals Ltd | Building Blocks (on-demand) | 95 | As is | by synthesis |
| P-616203636 | BLD pharm | In-stock building blocks | 97 | As is | 31 g |
| P-868594675 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-862030899 | FluoroChem | General BB | N/A | As is | in stock |
| P-502527949 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454378570 | Key Organics | Building Blocks | 95 | As is | 21.868 g |
| P-18793572 | Key Organics | Screening Compounds and Fragments | 95 | As is | 21.868 g |
| P-31179035 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-852466864 | Matrix Scientific | All | N/A | As is | in stock |
| P-35214115 | Maybridge | Screening Collection | 90 | As is | unavailable |
| P-854801737 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-500401338 | Pi Chemicals | Virtual Compounds | 99 | As is | by synthesis |
| P-19476804 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889868921 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502403718 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611402534 | Toronto Research | In stock | 90 | As is | in stock |
| P-1200115 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 95 mg |
| P-615447924 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.311 |
| logP | 4.0404 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 42.37 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 67.2015 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
