MCULE-9255504348
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 19 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-9255504348.sdf |
SMILES | MCULE-9255504348.smiles |
Standard InChI | MCULE-9255504348.inchi |
InChIKey | MCULE-9255504348.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867621181 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875783581 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869211323 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893525511 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 115 g |
P-864191238 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-3443488 | ChemDiv | Discovery Chemistry Library | 90 | As is | 10 mg |
P-861565245 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-889385721 | FluoroChem | General BB | 98 | As is | in stock |
P-502760716 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502532856 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-504190838 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-864027566 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12353082 | Otava | In-House Stock Library | 90 | As is | 1.007 g |
P-18828592 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-596804017 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-12298395 | Specs | Screening Compounds | 90 | As is | 21.289 g |
P-33805663 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-25624722 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 15 mg |
P-893675523 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 281.758 |
logP | 4.603 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 54.55 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 73.5317 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 12 |
Heteroatoms | 5 |
N/O atoms | 3 |
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 |