Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6193904131
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 | 113 USD | 95 | 22 working days | Get Quote |
| 5 mg | 113 USD | 95 | 22 working days | Get Quote |
| 10 mg | 113 USD | 95 | 22 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-3131738609
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6193904131.sdf |
| SMILES | MCULE-6193904131.smiles |
| Standard InChI | MCULE-6193904131.inchi |
| InChIKey | MCULE-6193904131.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888162871 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-852078673 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-875753307 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-893603716 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 4.51 g |
| P-436458478 | Alinda | Building Blocks | 95 | Main component | in stock |
| P-870023730 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
| P-454718410 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-852430564 | Matrix Scientific | All | N/A | Main component | in stock |
| P-864075980 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-873221526 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-873064460 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-873083496 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-588802687 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | Main component | by synthesis |
| P-886959320 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| P-867543635 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-875700772 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-851592399 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-611044513 | BLD pharm | Non-stock building blocks | 95 | Main component as a main component | by synthesis |
| P-861376819 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-862059774 | FluoroChem | General BB | 95 | Main component as a main component | in stock |
| P-855946341 | Key Organics | Building Blocks | 95 | Main component as a main component | 1000 mg |
| P-893675323 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 323.340 |
| logP | 1.4573 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 104.14 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 87.1321 |
| Atoms | 44 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 21 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
