MCULE-1999660404
- 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 | 78 USD | 97 | 11 working days | Get Quote |
5 mg | 78 USD | 97 | 11 working days | Get Quote |
10 mg | 78 USD | 97 | 11 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-2976201730
- Component type: Main
-
1
MCULE-1568229930
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1999660404.sdf |
SMILES | MCULE-1999660404.smiles |
Standard InChI | MCULE-1999660404.inchi |
InChIKey | MCULE-1999660404.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893555756 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 51.737 g |
P-590980075 | BLD pharm | Non-stock building blocks | 96 | As is | by synthesis |
P-887189841 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-893508601 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 76.57 g |
P-610958841 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 250 mg |
P-591042981 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
P-619600863 | BLD pharm | In-stock building blocks | 95 | Main component | unavailable |
P-851299418 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
P-868625810 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
P-868625858 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
P-854784665 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-888857144 | PharmaBlock | In stock | N/A | Main component | in stock |
P-613809549 | Spirochem | All | 95 | Main component | in stock |
P-613809472 | Spirochem | All | 95 | Main component | in stock |
P-875893488 | Allbio Pharm | In stock | N/A | Main component as a main component | in stock |
P-863650287 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | unavailable |
P-861511454 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
P-889440869 | FluoroChem | General BB | 98 | Main component as a main component | in stock |
P-615645637 | LabNetwork | In stock | 95 | Main component as a main component | in stock |
P-874448134 | MedChemExpress | Building Blocks in stock | 95 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 307.297 |
logP | -1.2463 |
H-bond acceptors | 9 |
H-bond donors | 5 |
Rotatable bonds | 5 |
PSA | 153.39 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 73.6669 |
Atoms | 42 |
Rings | 1 |
Heavy atoms | 21 |
Hydrogen atoms | 21 |
Heteroatoms | 9 |
N/O atoms | 9 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 4 |
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 |