MCULE-4965661379
- 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 | 12 USD | 98 | 20 working days | Get Quote |
5 mg | 12 USD | 98 | 20 working days | Get Quote |
10 mg | 12 USD | 98 | 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-4965661379.sdf |
SMILES | MCULE-4965661379.smiles |
Standard InChI | MCULE-4965661379.inchi |
InChIKey | MCULE-4965661379.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867542153 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875698869 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590362560 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893527480 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 108.692 g |
P-606831633 | AmBeed | In stock | N/A | As is | in stock |
P-619177871 | Angene | Building Blocks in stock | 98 | As is | 20 g |
P-494410224 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-596386382 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-596513652 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-864208238 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-494301859 | BioBlocks | In stock | 95 | As is | in stock |
P-868621011 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580296056 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889381011 | FluoroChem | General BB | 98 | As is | in stock |
P-855914583 | Key Organics | Building Blocks | 97 | As is | 250 mg |
P-852436168 | Matrix Scientific | All | N/A | As is | in stock |
P-869094751 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-888885908 | PharmaBlock | In stock | N/A | As is | in stock |
P-873237502 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611436141 | Toronto Research | In stock | 90 | As is | in stock |
P-893966291 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 202.638 |
logP | 3.06828 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 0 |
PSA | 36.68 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 56.434 |
Atoms | 21 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 7 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |