Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8213887222-0
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 50 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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-8213887222-0.sdf |
| SMILES | MCULE-8213887222-0.smiles |
| Standard InChI | MCULE-8213887222-0.inchi |
| InChIKey | MCULE-8213887222-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867310961 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-890161945 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869293695 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851421386 | AmBeed | On request | N/A | As is | by synthesis |
| P-892191156 | Angene | Building Blocks in stock | 95 | As is | 5 g |
| P-590747678 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-619311858 | ChemDiv | Discovery Chemistry Library | 90 | As is | 3 mg |
| P-893626830 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34572615 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580768846 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
| P-580779734 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-596578128 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-580498760 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-854911907 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-23882364 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491132680 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-33467855 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502345212 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-1234170 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.063 g |
| P-596526461 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.063 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 233.223 |
| logP | 2.0449 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 90.38 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.3276 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
