Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2997152663-0
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 | 6 USD | 98 | 8 working days | Get Quote |
| 5 mg | 6 USD | 98 | 8 working days | Get Quote |
| 10 mg | 6 USD | 98 | 8 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-7373548311-0
- Component type: Main
-
1
MCULE-1568229930-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2997152663-0.sdf |
| SMILES | MCULE-2997152663-0.smiles |
| Standard InChI | MCULE-2997152663-0.inchi |
| InChIKey | MCULE-2997152663-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-895912242 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-580711422 | BLD pharm | In-stock building blocks | 98 | As is | 126 g |
| P-851240325 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868607861 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-852519851 | Matrix Scientific | All | N/A | As is | in stock |
| P-854730497 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-888856049 | PharmaBlock | In stock | N/A | As is | in stock |
| P-873283782 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-613814397 | Spirochem | All | 95 | As is | in stock |
| P-893442948 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 306.126 g |
| P-489161780 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-901879340 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
| P-580705952 | BLD pharm | In-stock building blocks | 95 | Main component | 172.25 g |
| P-851263101 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868611449 | Combi-Blocks | Building Block in stock | 95 | Main component | in stock |
| P-862017028 | FluoroChem | General BB | N/A | Main component | in stock |
| P-852494229 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854783827 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-893556469 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 54.825 g |
| P-489222975 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-591085380 | BLD pharm | Non-stock building blocks | 98 | Main component as a main component | by synthesis |
| P-591143276 | BLD pharm | Non-stock building blocks | 98 | Main component as a main component | by synthesis |
| P-851247499 | Chemshuttle | On request catalog | 95 | Main component as a main component | by synthesis |
| P-887190126 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-889439995 | FluoroChem | General BB | N/A | Main component as a main component | in stock |
| P-852522541 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-895248941 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 367.349 |
| logP | -1.8073 |
| H-bond acceptors | 11 |
| H-bond donors | 6 |
| Rotatable bonds | 6 |
| PSA | 189.0 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 80.3274 |
| Atoms | 50 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 25 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| 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 |
