MCULE-8356846621
- 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 | 11 USD | 95 | 20 working days | Get Quote |
5 mg | 11 USD | 95 | 20 working days | Get Quote |
10 mg | 11 USD | 95 | 20 working days | Get Quote |
- 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-8356846621.sdf |
SMILES | MCULE-8356846621.smiles |
Standard InChI | MCULE-8356846621.inchi |
InChIKey | MCULE-8356846621.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867557306 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875716616 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-597028268 | AEchem | Building blocks | 95 | As is | in stock |
P-590390785 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893576656 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 88.71 g |
P-580241743 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-606867916 | AmBeed | In stock | N/A | As is | in stock |
P-596943881 | Angene | Building Blocks in stock | 95 | As is | 30 g |
P-889445507 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-580724355 | BLD pharm | In-stock building blocks | 95 | As is | 16.25 g |
P-851241097 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861271962 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
P-868594512 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580404761 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861986308 | FluoroChem | General BB | 95 | As is | in stock |
P-890203936 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-579483435 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 865 mg |
P-454362020 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
P-31218120 | LaboTest | Screening Collection | 90 | As is | 250 mg |
P-580470427 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852442536 | Matrix Scientific | All | N/A | As is | in stock |
P-885548298 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611496435 | Toronto Research | In stock | 90 | As is | in stock |
P-615450002 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 205.038 |
logP | 3.2573 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 55.12 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 49.0641 |
Atoms | 18 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 6 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |