MCULE-6465461089
- 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 | 20 USD | N/A | 14 working days | Get Quote |
5 mg | 20 USD | N/A | 14 working days | Get Quote |
10 mg | 20 USD | N/A | 14 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-6465461089.sdf |
SMILES | MCULE-6465461089.smiles |
Standard InChI | MCULE-6465461089.inchi |
InChIKey | MCULE-6465461089.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867628555 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875791775 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869194732 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-505347057 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893445844 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.3 g |
P-606852334 | AmBeed | In stock | N/A | As is | in stock |
P-489113184 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-865919200 | Angene | Building Blocks in stock | 97 | As is | 2.3 g |
P-589659449 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864162363 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-893253155 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-851261168 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-851291317 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868603949 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580273822 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-580299601 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862031624 | FluoroChem | General BB | 99 | As is | in stock |
P-502550191 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-500157459 | J&W Pharmlab | In-stock compounds | 97 | As is | in stock |
P-524161402 | Key Organics | Building Blocks | 98 | As is | 1000 mg |
P-579664532 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-854918115 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-889862507 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-855068955 | Toronto Research | In stock | 90 | As is | in stock |
P-588800937 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
P-615463752 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 164.200 |
logP | 1.7726 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 21.76 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 46.485 |
Atoms | 24 |
Rings | 2 |
Heavy atoms | 12 |
Hydrogen atoms | 12 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |