MCULE-3403475123-0
- 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 | 22 USD | 98 | 8 working days | Get Quote |
5 mg | 22 USD | 98 | 8 working days | Get Quote |
10 mg | 22 USD | 98 | 8 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-9369768702-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3403475123-0.sdf |
SMILES | MCULE-3403475123-0.smiles |
Standard InChI | MCULE-3403475123-0.inchi |
InChIKey | MCULE-3403475123-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-895208485 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-597016236 | AEchem | Building blocks | 98 | Main component | in stock |
P-893588886 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 164.889 g |
P-895912345 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
P-900155294 | AvaChem Scientific | In stock | 95 | Main component | in stock |
P-580707450 | BLD pharm | In-stock building blocks | 98 | Main component | 37.25 g |
P-871222020 | BOC Sciences | All products | N/A | Main component | by resynthesis (? - ? days) |
P-851274171 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
P-868608966 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
P-889431679 | FluoroChem | General BB | 95 | Main component | in stock |
P-852462837 | Matrix Scientific | All | N/A | Main component | in stock |
P-896627164 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
P-854693125 | MedChemExpress | Natural Products In stock | 95 | Main component | in stock |
P-584620813 | MedKoo | In stock compounds | 95 | Main component | in stock |
P-608276640 | Molnova | Stock | 98 | Main component | in stock |
P-617403202 | Selleckchem | Product Catalog | N/A | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 687.432 |
logP | 5.455 |
H-bond acceptors | 5 |
H-bond donors | 3 |
Rotatable bonds | 5 |
PSA | 92.78 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 119.1562 |
Atoms | 37 |
Rings | 2 |
Heavy atoms | 24 |
Hydrogen atoms | 13 |
Heteroatoms | 9 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 4 |
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 |