Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8979413899
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 | 31 USD | 95 | 12 working days | Get Quote |
| 5 mg | 31 USD | 95 | 12 working days | Get Quote |
| 10 mg | 31 USD | 95 | 12 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.
-
MCULE-2804106068
- Component type: Main
-
MCULE-7452226329
- Component type: Main
-
MCULE-1170459207
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8979413899.sdf |
| SMILES | MCULE-8979413899.smiles |
| Standard InChI | MCULE-8979413899.inchi |
| InChIKey | MCULE-8979413899.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892856575 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875752605 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590400172 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610976888 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 199.87 g |
| P-851495805 | AmBeed | On request | N/A | As is | by synthesis |
| P-596992963 | Angene | Building Blocks in stock | 95 | As is | 50 g |
| P-864116374 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590823951 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-4572075 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-851254784 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868554705 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-862082732 | FluoroChem | General BB | N/A | As is | in stock |
| P-454302222 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-615647084 | LabNetwork | In stock | 95 | As is | in stock |
| P-894980140 | LabNetwork | OTS | N/A | As is | in stock |
| P-588251051 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852483305 | Matrix Scientific | All | N/A | As is | in stock |
| P-854777984 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-873227177 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611366199 | Toronto Research | In stock | 90 | As is | in stock |
| P-615453133 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-886440766 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-675521240 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| P-25757497 | Life Chemicals | Screening Compounds | 90 | As a main component | 407 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 286.164 |
| logP | 2.098 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 21.7 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 70.451 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
