Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8579374320
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 | 16 USD | 95 | 20 working days | Get Quote |
| 5 mg | 16 USD | 95 | 20 working days | Get Quote |
| 10 mg | 16 USD | 95 | 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.
-
1
MCULE-7981253226
- Component type: Counter Ion
-
1
MCULE-9524100866
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8579374320.sdf |
| SMILES | MCULE-8579374320.smiles |
| Standard InChI | MCULE-8579374320.inchi |
| InChIKey | MCULE-8579374320.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852084490 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-597025701 | AEchem | Building blocks | 95 | As is | in stock |
| P-590404010 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-580245800 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-489225293 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596962144 | Angene | Building Blocks in stock | 95 | As is | 11.75 g |
| P-864102937 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-851265532 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868603738 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-862023862 | FluoroChem | General BB | N/A | As is | in stock |
| P-524167522 | Key Organics | Building Blocks | 98 | As is | 1000 mg |
| P-454424741 | Key Organics | Building Blocks | 95 | As is | 5 g |
| P-852463846 | Matrix Scientific | All | N/A | As is | in stock |
| P-854801491 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-855314121 | Toronto Research | In stock | 90 | As is | in stock |
| P-575300981 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 378.375 |
| logP | 0.3442 |
| H-bond acceptors | 11 |
| H-bond donors | 5 |
| Rotatable bonds | 8 |
| PSA | 187.69 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 91.9646 |
| Atoms | 52 |
| Rings | 1 |
| Heavy atoms | 26 |
| Hydrogen atoms | 26 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| 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 |
