Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8562671113
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 | 7 USD | 97 | 8 working days | Get Quote |
| 5 mg | 7 USD | 97 | 8 working days | Get Quote |
| 10 mg | 7 USD | 97 | 8 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-8562671113.sdf |
| SMILES | MCULE-8562671113.smiles |
| Standard InChI | MCULE-8562671113.inchi |
| InChIKey | MCULE-8562671113.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867582426 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875741182 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590379134 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606879766 | AmBeed | In stock | N/A | As is | in stock |
| P-596953000 | Angene | Building Blocks in stock | 97 | As is | 878.9 g |
| P-494320170 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-864146261 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580726080 | BLD pharm | In-stock building blocks | 97 | As is | 131 g |
| P-505576635 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-868600742 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-861922154 | FluoroChem | General BB | N/A | As is | in stock |
| P-505511916 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502899301 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502552042 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-893294086 | Key Organics | Building Blocks | 90 | As is | 523 mg |
| P-855956028 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-579453527 | Key Organics | Building Blocks | 97 | As is | 25 g |
| P-454313556 | Key Organics | Screening Compounds and Fragments | 90 | As is | 523 mg |
| P-31179691 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-852377263 | Matrix Scientific | All | N/A | As is | in stock |
| P-854753570 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-26425973 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-500374112 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19564301 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885547821 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502370982 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611365624 | Toronto Research | In stock | 90 | As is | in stock |
| P-615395028 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 170.137 |
| logP | 0.9437 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 39.1066 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
