MCULE-1447077543-0
- 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 | 73 USD | 95 | 14 working days | Get Quote |
5 mg | 73 USD | 95 | 14 working days | Get Quote |
10 mg | 104 USD | 95 | 14 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-5103186823-0
- Component type: Main
-
1
MCULE-3549142744-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1447077543-0.sdf |
SMILES | MCULE-1447077543-0.smiles |
Standard InChI | MCULE-1447077543-0.inchi |
InChIKey | MCULE-1447077543-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-854705881 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-610959339 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 2.145 g |
P-851297244 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
P-887184234 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
P-579479261 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
P-863730446 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
P-896628170 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
P-617402463 | Selleckchem | Product Catalog | N/A | Main component | in stock |
P-489181761 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
P-887186294 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
P-868658800 | DC Chemicals Limited | Stock Products | 95 | Main component as a main component | in stock |
P-854719207 | MedChemExpress | Screening compounds In stock | 95 | Main component as a main component | in stock |
P-474020913 | MedKoo | In stock compounds | 95 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 662.775 |
logP | 3.4599 |
H-bond acceptors | 13 |
H-bond donors | 5 |
Rotatable bonds | 14 |
PSA | 189.37 |
RO5 violations | 2 |
RO3 violations | 6 |
Refractivity | 185.4514 |
Atoms | 94 |
Rings | 4 |
Heavy atoms | 48 |
Hydrogen atoms | 46 |
Heteroatoms | 13 |
N/O atoms | 13 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 2 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |