MCULE-5144364202
- 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 | 28 USD | 92 | 18 working days | Get Quote |
5 mg | 43 USD | 92 | 18 working days | Get Quote |
10 mg | 54 USD | 92 | 18 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.
-
1
MCULE-5197523416
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5144364202.sdf |
SMILES | MCULE-5144364202.smiles |
Standard InChI | MCULE-5144364202.inchi |
InChIKey | MCULE-5144364202.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893104425 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-852187200 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-489110562 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-13803764 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-675098987 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885541422 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-889853175 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-867523434 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-872723049 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
P-870653064 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
P-888169357 | Molnova | On demand | 98 | Main component | by synthesis |
P-885541423 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 360.796 |
logP | -3.5169 |
H-bond acceptors | 10 |
H-bond donors | 3 |
Rotatable bonds | 8 |
PSA | 153.02 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 89.9615 |
Atoms | 45 |
Rings | 2 |
Heavy atoms | 24 |
Hydrogen atoms | 21 |
Heteroatoms | 11 |
N/O atoms | 10 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |