Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7699163332-0
Structure
Show compound
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 | 35 USD | 98 | 20 working days | Get Quote |
| 5 mg | 35 USD | 98 | 20 working days | Get Quote |
| 10 mg | 35 USD | 98 | 20 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-8512828218-0
- Component type: Main
-
2
MCULE-6572487779-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7699163332-0.sdf |
| SMILES | MCULE-7699163332-0.smiles |
| Standard InChI | MCULE-7699163332-0.inchi |
| InChIKey | MCULE-7699163332-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888646435 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869140352 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-867533115 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875687407 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-597025027 | AEchem | Building blocks | 95 | Main component | in stock |
| P-579762104 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851929622 | AmBeed | In stock | N/A | Main component | in stock |
| P-489214239 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-865901954 | Angene | Building Blocks in stock | 98 | Main component | 950 mg |
| P-580193790 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
| P-864106002 | AstaTech | In Stock BBs | 90 | Main component | in stock |
| P-619601464 | BLD pharm | In-stock building blocks | 98 | Main component | 350 mg |
| P-851315826 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868599806 | Combi-Blocks | Building Block in stock | 90 | Main component | in stock |
| P-862000731 | FluoroChem | General BB | N/A | Main component | in stock |
| P-505493623 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-575366109 | Key Organics | Biochemicals | 95 | Main component | 100 mg |
| P-852459023 | Matrix Scientific | All | N/A | Main component | in stock |
| P-584623706 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-878643112 | Molnova | Stock | 98 | Main component | in stock |
| P-888897318 | PharmaBlock | In stock | N/A | Main component | in stock |
| P-888641156 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
| P-869128435 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| P-480997650 | eNovation Chemicals LLC | Building Blocks in stock | 97 | Main component | in stock |
| P-886614492 | A2B Chem | Predominantly Building Block in stock | N/A | Main component as a main component | in stock |
| P-890158397 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-853427974 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-851783999 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-864263848 | AstaTech | Backordered BBs | 98 | Main component as a main component | by synthesis |
| P-591116737 | BLD pharm | Non-stock building blocks | 98 | Main component as a main component | by synthesis |
| P-888621983 | Key Organics | Building Blocks | 95 | Main component as a main component | 5 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 532.635 |
| logP | 5.6525 |
| H-bond acceptors | 12 |
| H-bond donors | 6 |
| Rotatable bonds | 10 |
| PSA | 243.7 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 135.6168 |
| Atoms | 67 |
| Rings | 2 |
| Heavy atoms | 35 |
| Hydrogen atoms | 32 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
