MCULE-7031938104
- 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 | 9 USD | 98 | 16 working days | Get Quote |
5 mg | 18 USD | 98 | 16 working days | Get Quote |
10 mg | 20 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.
-
1
MCULE-6504692276
- Component type: Main
-
1
MCULE-8295936189
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-7031938104.sdf |
SMILES | MCULE-7031938104.smiles |
Standard InChI | MCULE-7031938104.inchi |
InChIKey | MCULE-7031938104.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-869332518 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-867544624 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
P-875702004 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-590360590 | AK Scientific | Building Blocks | 98 | Main component | in stock |
P-580267311 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
P-606902606 | AmBeed | In stock | N/A | Main component | in stock |
P-596939388 | Angene | Building Blocks in stock | 98 | Main component | 7.917 g |
P-580195490 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
P-869383907 | AstaTech | In Stock BBs | 95 | Main component | in stock |
P-868545021 | Axon Medchem | Axon predominantly SC catalog | 99 | Main component | in stock |
P-675214988 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
P-888648533 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
P-869145549 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 466.464 |
logP | 3.41068 |
H-bond acceptors | 10 |
H-bond donors | 2 |
Rotatable bonds | 0 |
PSA | 147.36 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 124.9407 |
Atoms | 57 |
Rings | 4 |
Heavy atoms | 34 |
Hydrogen atoms | 23 |
Heteroatoms | 11 |
N/O atoms | 10 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |