MCULE-4333811997-0
- 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 | 27 USD | N/A | 35 working days | Get Quote |
5 mg | 27 USD | N/A | 35 working days | Get Quote |
10 mg | 27 USD | N/A | 35 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-6002936904-1
- Component type: Main
-
1
MCULE-6124492894-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-4333811997-0.sdf |
SMILES | MCULE-4333811997-0.smiles |
Standard InChI | MCULE-4333811997-0.inchi |
InChIKey | MCULE-4333811997-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886580820 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-890149680 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-865913707 | Angene | Building Blocks in stock | 98 | As is | 5 g |
P-867485116 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-851545140 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
P-489150980 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
P-494306758 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
P-590936150 | BLD pharm | Non-stock building blocks | 97 | Main component as a main component | by synthesis |
P-862141313 | FluoroChem | General BB | N/A | Main component as a main component | in stock |
P-579626756 | LabSeeker, Inc | Stock Collection | 95 | Main component as a main component | in stock |
P-895699190 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
P-502401473 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 210.155 |
logP | -1.846 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 16.61 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 53.5564 |
Atoms | 30 |
Rings | 0 |
Heavy atoms | 10 |
Hydrogen atoms | 20 |
Heteroatoms | 2 |
N/O atoms | 1 |
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 |