Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5520163874
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 | 6 USD | N/A | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 16 working days | Get Quote |
| 10 mg | 7 USD | 98 | 16 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.
| Name | File |
|---|---|
| SDF | MCULE-5520163874.sdf |
| SMILES | MCULE-5520163874.smiles |
| Standard InChI | MCULE-5520163874.inchi |
| InChIKey | MCULE-5520163874.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867643388 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875809580 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869181459 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590379051 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606952484 | AmBeed | In stock | N/A | As is | in stock |
| P-868962674 | AmBeed | In stock | N/A | As is | in stock |
| P-596969402 | Angene | Building Blocks in stock | 98 | As is | 4 kg |
| P-860055156 | AvaChem Scientific | All products | 98 | As is | by synthesis |
| P-890224616 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-868955684 | BLD pharm | In-stock building blocks | 98 | As is | 5 g |
| P-868608861 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-579478061 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-862031388 | FluoroChem | General BB | N/A | As is | in stock |
| P-675218587 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-617804788 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-615655579 | LabNetwork | In stock | 95 | As is | in stock |
| P-579631706 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-852467122 | Matrix Scientific | All | N/A | As is | in stock |
| P-854692804 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-869014534 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-608276220 | Molnova | Stock | 98 | As is | in stock |
| P-674717861 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-617402074 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-869175385 | TargetMol | Natural Products | 95 | As is | 4.301 g |
| P-855010986 | Toronto Research | In stock | 90 | As is | in stock |
| P-855010988 | Toronto Research | In stock | 90 | As is | in stock |
| P-855010991 | Toronto Research | In stock | 90 | As is | in stock |
| P-854983993 | Toronto Research | In stock | 90 | As is | in stock |
| P-855007601 | Toronto Research | In stock | 90 | As is | in stock |
| P-886970505 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
| P-868492852 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 182.172 |
| logP | -3.5854 |
| H-bond acceptors | 6 |
| H-bond donors | 6 |
| Rotatable bonds | 5 |
| PSA | 121.38 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 37.9268 |
| Atoms | 26 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
