MCULE-5353583122
- 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 | 9 USD | 98 | 20 working days | Get Quote |
5 mg | 9 USD | 98 | 20 working days | Get Quote |
10 mg | 9 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-5353583122.sdf |
SMILES | MCULE-5353583122.smiles |
Standard InChI | MCULE-5353583122.inchi |
InChIKey | MCULE-5353583122.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867666843 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875834579 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-505347131 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-893557852 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.07445 kg |
P-580243041 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-606952213 | AmBeed | In stock | N/A | As is | in stock |
P-489115978 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596973855 | Angene | Building Blocks in stock | 98 | As is | 150 g |
P-589659925 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864141073 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-851284604 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868621869 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-862049484 | FluoroChem | General BB | N/A | As is | in stock |
P-524161453 | Key Organics | Building Blocks | 99 | As is | 5 g |
P-856005468 | Key Organics | Screening Compounds and Fragments | 99 | As is | 100 mg |
P-854747665 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-889864827 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-596754618 | Synthonix | In-stock Building Blocks | 95 | As is | 45.75 g |
P-23115177 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
P-855357564 | Toronto Research | In stock | 90 | As is | in stock |
P-615409930 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 164.244 |
logP | 2.9981 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 20.23 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 52.701 |
Atoms | 28 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 16 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |