Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1246452028
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 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.
-
1
MCULE-5489934787
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1246452028.sdf |
| SMILES | MCULE-1246452028.smiles |
| Standard InChI | MCULE-1246452028.inchi |
| InChIKey | MCULE-1246452028.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867418569 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-619851833 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
| P-617727107 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.022 g |
| P-617779588 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.022 g |
| P-867315718 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-516896592 | Eximed | In-stock screening compounds | 90 | Main component | 500 mg |
| P-864499425 | Eximed | In-stock screening compounds | 90 | Main component | 510 mg |
| P-594268977 | Eximed | Building Block Catalog | 95 | Main component | 500 mg |
| P-502985200 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-870579912 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-488552491 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
| P-854472200 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
| P-620220681 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 500 mg |
| P-26410902 | Otava | In-House Stock Library | 90 | Main component | 500 mg |
| P-454369930 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
| P-868120391 | Princeton Biomolecular Research | Building Block Stock | 95 | Main component | 500 mg |
| P-19821306 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 279.763 |
| logP | 2.2924 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.27 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 86.1942 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 18 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
