Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4375643069-0
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 | 7 USD | N/A | 9 working days | Get Quote |
| 5 mg | 7 USD | N/A | 9 working days | Get Quote |
| 10 mg | 7 USD | N/A | 9 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-6797850777-0
- Component type: Main
-
1
MCULE-9920754312-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4375643069-0.sdf |
| SMILES | MCULE-4375643069-0.smiles |
| Standard InChI | MCULE-4375643069-0.inchi |
| InChIKey | MCULE-4375643069-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867396244 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-853429054 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-893442974 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 2.1 g |
| P-851515609 | AmBeed | On request | N/A | Main component | by synthesis |
| P-892190211 | Angene | Building Blocks in stock | 95 | Main component | 2 g |
| P-872724187 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
| P-896024439 | AstaTech | In Stock BBs | 98 | Main component | in stock |
| P-590784240 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
| P-893625531 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-854707798 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-869127532 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-888640598 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-875792792 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-489126929 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-580697488 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | unavailable |
| P-851278541 | Chemshuttle | On request catalog | 95 | Main component as a main component | by synthesis |
| P-861429621 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-579480783 | DC Chemicals Limited | Stock Products | 95 | Main component as a main component | in stock |
| P-505522421 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-579628747 | LabSeeker, Inc | Stock Collection | 95 | Main component as a main component | in stock |
| P-854717184 | MedChemExpress | Screening compounds In stock | 95 | Main component as a main component | in stock |
| P-474021241 | MedKoo | In stock compounds | 95 | Main component as a main component | in stock |
| P-608275209 | Molnova | Stock | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 406.473 |
| logP | 3.3574 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 90.73 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 119.7766 |
| Atoms | 56 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 26 |
| Heteroatoms | 6 |
| 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 | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
