Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1991645611
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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 USD | 98 | 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-1991645611.sdf |
| SMILES | MCULE-1991645611.smiles |
| Standard InChI | MCULE-1991645611.inchi |
| InChIKey | MCULE-1991645611.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867638326 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875804152 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-535624078 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-34856183 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851714298 | AmBeed | On request | N/A | As is | by synthesis |
| P-596989965 | Angene | Building Blocks in stock | 98 | As is | 25 g |
| P-864196875 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-591062822 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-893228163 | Biosynth | In Stock | 95 | As is | in stock |
| P-4241729 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-868648397 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34838144 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580429371 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862046475 | FluoroChem | General BB | N/A | As is | in stock |
| P-494300009 | Frinton Laboratories | Frinton Building Blocks | 98 | As is | in stock |
| P-502518189 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-855953349 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-852550418 | Matrix Scientific | All | N/A | As is | in stock |
| P-901177175 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-500403052 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19551685 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885546281 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-12690629 | Specs | Screening Compounds | 90 | As is | 181 mg |
| P-869142397 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888647301 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-22636532 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502332137 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888439078 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611380909 | Toronto Research | In stock | 90 | As is | in stock |
| P-1098768 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 20 mg |
| P-886891376 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 290.354 |
| logP | 4.8446 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 18.46 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 88.4 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
