Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5822661002
Compound
Show structures
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 | 16 USD | 97 | 15 working days | Get Quote |
| 5 mg | 16 USD | 97 | 15 working days | Get Quote |
| 10 mg | 16 USD | 97 | 15 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-5822661002.sdf |
| SMILES | MCULE-5822661002.smiles |
| Standard InChI | MCULE-5822661002.inchi |
| InChIKey | MCULE-5822661002.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867541721 | A2B Chem | Predominantly Building Block in stock | 90 | As is | in stock |
| P-875698332 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890254741 | ACS Scientific | Synthesis catalog | 97 | As is | by synthesis |
| P-590365745 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903021107 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 30 g |
| P-893515119 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 216.564 g |
| P-606913288 | AmBeed | In stock | N/A | As is | in stock |
| P-489218694 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596938268 | Angene | Building Blocks in stock | 97 | As is | 16.11 g |
| P-895923585 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864109947 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580711718 | BLD pharm | In-stock building blocks | 97 | As is | 15.025 g |
| P-901446643 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-851271428 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-893621036 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-580295536 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862024363 | FluoroChem | China Stock BB | 95 | As is | 19.105 g |
| P-905344566 | FluoroChem | German Stock BB | 95 | As is | 1.6 g |
| P-524188397 | Key Organics | Building Blocks | 98 | As is | 5 g |
| P-854747915 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-888843913 | PharmaBlock | On demand | N/A | As is | by synthesis |
| P-885539027 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596785443 | Synthonix | In-stock Building Blocks | 90 | As is | 17.35 g |
| P-892270732 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892348675 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-615448521 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 161.200 |
| logP | 1.6097 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 51.1712 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
