Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8490201471
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 | 95 | 16 working days | Get Quote |
| 5 mg | 7 USD | 95 | 16 working days | Get Quote |
| 10 mg | 7 USD | 95 | 16 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-8490201471.sdf |
| SMILES | MCULE-8490201471.smiles |
| Standard InChI | MCULE-8490201471.inchi |
| InChIKey | MCULE-8490201471.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867564860 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-590380978 | AK Scientific | Building Blocks | 94 | As is | in stock |
| P-606915416 | AmBeed | In stock | N/A | As is | in stock |
| P-596946611 | Angene | Building Blocks in stock | 95 | As is | 3.407 kg |
| P-866723545 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864184716 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-862094606 | FluoroChem | General BB | N/A | As is | in stock |
| P-870660819 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-488555643 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-856009885 | Key Organics | Biochemicals | 97 | As is | 100 mg |
| P-31251514 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-500404446 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-889866381 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-617402446 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888650127 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869149369 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-869178469 | TargetMol | Natural Products | 95 | As is | 4.483 g |
| P-854648120 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 164.244 |
| logP | 3.0221 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 52.129 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 16 |
| Heteroatoms | 1 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
