Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6492951723
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 | 62 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-9403650564
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6492951723.sdf |
| SMILES | MCULE-6492951723.smiles |
| Standard InChI | MCULE-6492951723.inchi |
| InChIKey | MCULE-6492951723.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-24176038 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-26349859 | Otava | In-House Stock Library | 90 | As is | 1.026 g |
| P-617683067 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.026 g |
| P-13246869 | Pharmeks LLC | Synthetic compounds | 92 | As is | 109 mg |
| P-617597000 | Specs | Screening Compounds | 90 | As is | 74 mg |
| P-504653033 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 90 | Main component | 5 mg |
| P-12808331 | Otava | In-House Stock Library | 90 | Main component | 458 mg |
| P-617696721 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 458 mg |
| P-579242383 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-19242430 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-491087924 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-23211706 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 9 mg |
| P-24819833 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 32 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 339.860 |
| logP | 5.9164 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 37.81 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 103.1657 |
| Atoms | 46 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 22 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
