MCULE-8028263767
- 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 | 71 USD | 95 | 10 working days | Get Quote |
5 mg | 88 USD | 95 | 10 working days | Get Quote |
10 mg | 99 USD | 98 | 15 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-8028263767.sdf |
SMILES | MCULE-8028263767.smiles |
Standard InChI | MCULE-8028263767.inchi |
InChIKey | MCULE-8028263767.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872831336 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875805545 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590368847 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-903163009 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 5 g |
P-868819252 | AmBeed | In stock | N/A | As is | in stock |
P-868839589 | Angene | Building Blocks in stock | 98 | As is | 5 g |
P-864089541 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-868954839 | BLD pharm | In-stock building blocks | 98 | As is | 3.334 g |
P-454626872 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-436467841 | Chemical Intelligence Co Limited | Building Blocks | 95 | As is | in stock |
P-851244036 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-872749970 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-862035641 | FluoroChem | General BB | N/A | As is | in stock |
P-454377957 | Key Organics | Building Blocks | 95 | As is | 1.994 g |
P-18793883 | Key Organics | Screening Compounds and Fragments | 95 | As is | 1.994 g |
P-460553210 | Life Chemicals | Screening Compounds | 90 | As is | 17 mg |
P-852447829 | Matrix Scientific | All | N/A | As is | in stock |
P-904073883 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-886902989 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 184.194 |
logP | 1.7808 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 37.27 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 55.5237 |
Atoms | 22 |
Rings | 3 |
Heavy atoms | 14 |
Hydrogen atoms | 8 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |