MCULE-1611438259-0
- 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 | 47 USD | 98 | 16 working days | Get Quote |
5 mg | 47 USD | 98 | 16 working days | Get Quote |
10 mg | 56 USD | 98 | 16 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-9655496158-0
- Component type: Main
-
1
MCULE-5726619687-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1611438259-0.sdf |
SMILES | MCULE-1611438259-0.smiles |
Standard InChI | MCULE-1611438259-0.inchi |
InChIKey | MCULE-1611438259-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-871219386 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
P-675240105 | Allbio Pharm | In stock | N/A | Main component | in stock |
P-871222066 | BOC Sciences | All products | N/A | Main component | by resynthesis (? - ? days) |
P-851277374 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
P-868571228 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
P-579478830 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
P-854717902 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
P-608277965 | Molnova | Stock | 98 | Main component | in stock |
P-579711342 | Selleckchem | Product Catalog | N/A | Main component | in stock |
P-589631413 | Selleckchem | Epigenetics | N/A | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 404.360 |
logP | 2.53778 |
H-bond acceptors | 10 |
H-bond donors | 4 |
Rotatable bonds | 4 |
PSA | 170.75 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 101.9186 |
Atoms | 49 |
Rings | 4 |
Heavy atoms | 28 |
Hydrogen atoms | 21 |
Heteroatoms | 11 |
N/O atoms | 10 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |