MCULE-5205238265
- 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 | 35 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.
-
1
MCULE-2731913401
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5205238265.sdf |
SMILES | MCULE-5205238265.smiles |
Standard InChI | MCULE-5205238265.inchi |
InChIKey | MCULE-5205238265.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867412370 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-590356828 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-4152720 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-852417558 | Matrix Scientific | All | N/A | As is | in stock |
P-675100852 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502385549 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611418536 | Toronto Research | In stock | 90 | As is | in stock |
P-617722658 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 676 mg |
P-617782065 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 676 mg |
P-886608345 | A2B Chem | Predominantly Building Block in stock | N/A | Main component | in stock |
P-890156965 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-901459660 | Biosynth | Synthesis | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 215.718 |
logP | 3.4773 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 35.25 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 61.9934 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 18 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |