Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1309962672
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 | 44 USD | 90 | 21 working days | Get Quote |
| 5 mg | 71 USD | 90 | 21 working days | Get Quote |
| 10 mg | 85 USD | 90 | 21 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-3861281239
- Component type: Main
-
1
MCULE-1336748609
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1309962672.sdf |
| SMILES | MCULE-1309962672.smiles |
| Standard InChI | MCULE-1309962672.inchi |
| InChIKey | MCULE-1309962672.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-31167689 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-886594635 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-889918498 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-595217327 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-436459274 | Alinda | Building Blocks | 95 | Main component | in stock |
| P-851649895 | AmBeed | On request | N/A | Main component | by synthesis |
| P-889811533 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-590974025 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-4233809 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 10 mg |
| P-454710919 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-861527640 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-492242216 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-855973447 | Key Organics | Building Blocks | 95 | Main component | 1000 mg |
| P-613277067 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-852431153 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854840911 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-12681806 | Otava | In-House Stock Library | 90 | Main component | 54 mg |
| P-19159742 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-453915986 | Specs | Screening Compounds | 90 | Main component | 7 mg |
| P-23146270 | TimTec | ActiMol 2 Week | 90 | Main component | in stock |
| P-873225715 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611400550 | Toronto Research | In stock | 90 | Main component | in stock |
| P-26453254 | Otava | In-House Stock Library | 90 | Main component as a main component | 87 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 324.397 |
| logP | 1.9348 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 131.7 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 90.9787 |
| Atoms | 42 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 20 |
| Heteroatoms | 7 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
