MCULE-2590371317
- 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 | 7 USD | 98 | 8 working days | Get Quote |
5 mg | 7 USD | 98 | 8 working days | Get Quote |
10 mg | 7 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-6125201037
- Component type: Main
-
1
MCULE-8865188741
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2590371317.sdf |
SMILES | MCULE-2590371317.smiles |
Standard InChI | MCULE-2590371317.inchi |
InChIKey | MCULE-2590371317.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-854703802 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-866724972 | Apollo Scientific | In Stock | 95 | Main component as a main component | unavailable |
P-613257476 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | 45 g |
P-868568016 | Combi-Blocks | Building Block in stock | 97 | Main component as a main component | in stock |
P-900266263 | DC Chemicals Limited | Stock Products | 95 | Main component as a main component | in stock |
P-500242078 | Diverchim | Diverchim General Catalog | N/A | Main component as a main component | in stock |
P-889435009 | FluoroChem | General BB | 95 | Main component as a main component | in stock |
P-854701933 | MedChemExpress | Screening compounds on demand | 95 | Main component as a main component | by synthesis |
P-895192265 | MedChemExpress | Screening compounds on demand | 95 | Main component as a main component | by synthesis |
P-895310937 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
P-584622712 | MedKoo | In stock compounds | 95 | Main component as a main component | in stock |
P-619673570 | Molnova | Stock | 98 | Main component as a main component | in stock |
P-617401750 | Selleckchem | Product Catalog | N/A | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 388.326 |
logP | -4.0433 |
H-bond acceptors | 12 |
H-bond donors | 6 |
Rotatable bonds | 6 |
PSA | 214.55 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 83.9174 |
Atoms | 47 |
Rings | 2 |
Heavy atoms | 27 |
Hydrogen atoms | 20 |
Heteroatoms | 12 |
N/O atoms | 12 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 5 |
R/S chiral centers | 5 |
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 |