MCULE-4407547965
- 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 | 33 USD | 98 | 20 working days | Get Quote |
5 mg | 33 USD | 98 | 20 working days | Get Quote |
10 mg | 33 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-4407547965.sdf |
SMILES | MCULE-4407547965.smiles |
Standard InChI | MCULE-4407547965.inchi |
InChIKey | MCULE-4407547965.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867565522 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875724902 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-881670540 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-588248439 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-425204081 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851925001 | AmBeed | In stock | N/A | As is | in stock |
P-489202440 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596982786 | Angene | Building Blocks in stock | 98 | As is | 70 g |
P-872727410 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-866726506 | Apollo Scientific | In Stock | 95 | As is | in stock |
P-619600518 | BLD pharm | In-stock building blocks | 98 | As is | 18 g |
P-14897314 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1.736 g |
P-871217011 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-862110207 | FluoroChem | All BB | 98 | As is | in stock |
P-608220671 | Glentham Life Sciences | Compounds maintained in stock | N/A | As is | in stock |
P-12496858 | InterBioScreen | Screening Compounds | 92 | As is | 174 mg |
P-596571315 | Key Organics | Building Blocks | 95 | As is | 250 mg |
P-31135289 | LaboTest | Screening Collection | 90 | As is | 30 mg |
P-854716420 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-872678197 | MedKoo | In stock compounds | 95 | As is | in stock |
P-878643020 | Molnova | Stock | 98 | As is | in stock |
P-888892468 | PharmaBlock | In stock | N/A | As is | in stock |
P-885536192 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-579425133 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-617404063 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-873285723 | Shanghai iChemical | In stock | N/A | As is | in stock |
P-888637861 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869123907 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-24781549 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 71 mg |
P-615450772 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 318.368 |
logP | 4.2922 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 46.34 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 98.228 |
Atoms | 42 |
Rings | 4 |
Heavy atoms | 24 |
Hydrogen atoms | 18 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |