Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1191777956
Compound
Show structures
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 | 64 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.
-
1
MCULE-8066222443
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1191777956.sdf |
| SMILES | MCULE-1191777956.smiles |
| Standard InChI | MCULE-1191777956.inchi |
| InChIKey | MCULE-1191777956.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-619809591 | J&W Pharmlab | In-stock compounds | 96 | As is | in stock |
| P-895319025 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-854668999 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-867405528 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-894677586 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851501294 | AmBeed | On request | N/A | Main component | by synthesis |
| P-611025454 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-3848276 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 5 mg |
| P-454685668 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-15151641 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 3 mg |
| P-436443564 | Chemical Block | Building Blocks | 90 | Main component | 9.419 g |
| P-330684 | Chemical Block | Screening Library | 90 | Main component | 902 mg |
| P-34726764 | Crea-Chim | HTS compounds | 90 | Main component | by resynthesis (? - ? days) |
| P-580788097 | Crea-Chim | Building Blocks | 90 | Main component | by resynthesis (? - ? days) |
| P-492226119 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-502855833 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-619809590 | J&W Pharmlab | In-stock compounds | 96 | Main component | in stock |
| P-619809594 | J&W Pharmlab | In-stock compounds | 96 | Main component | in stock |
| P-854917477 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-19589711 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-33452154 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-502337637 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-596710756 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 5 mg |
| P-2375365 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 128 mg |
| P-893945082 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 281.635 |
| logP | 4.2 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 54.7 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.3531 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 8 |
| Heteroatoms | 8 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| 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 |
