MCULE-3993706568
- 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 | 104 USD | 90 | 27 working days | Get Quote |
5 mg | 117 USD | 90 | 27 working days | Get Quote |
10 mg | 118 USD | 90 | 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.
-
MCULE-3232466040
- Component type: Main
-
MCULE-6495665471
- Component type: Main
-
MCULE-6176661820
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3993706568.sdf |
SMILES | MCULE-3993706568.smiles |
Standard InChI | MCULE-3993706568.inchi |
InChIKey | MCULE-3993706568.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-25948695 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 100 mg |
P-895959006 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-894004170 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-893108912 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-867626348 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
P-867531227 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-870662308 | Glentham Life Sciences | Compounds maintained in stock | 98 | As a main component | in stock |
P-878207583 | Key Organics | Building Blocks | 95 | As a main component | 5 mg |
P-31194622 | LaboTest | Screening Collection | 90 | As a main component | 500 mg |
P-33397764 | TimTec | ActiMol 2 Week | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 480.638 |
logP | 5.2101 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 52.19 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 147.0507 |
Atoms | 75 |
Rings | 5 |
Heavy atoms | 35 |
Hydrogen atoms | 40 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |