MCULE-5815555784
- 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 | 6 USD | 98 | 20 working days | Get Quote |
5 mg | 6 USD | 98 | 20 working days | Get Quote |
10 mg | 6 USD | 98 | 20 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-1823115518
- Component type: Main
-
1
MCULE-6475627950
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5815555784.sdf |
SMILES | MCULE-5815555784.smiles |
Standard InChI | MCULE-5815555784.inchi |
InChIKey | MCULE-5815555784.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867541970 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875698702 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-535625156 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-505392710 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-580239359 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-606849556 | AmBeed | In stock | N/A | As is | in stock |
P-489147255 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596938479 | Angene | Building Blocks in stock | 98 | As is | 300 g |
P-494323775 | Apollo Scientific | In Stock | 95 | As is | 101 g |
P-864141504 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-893223141 | Biosynth | In Stock | 95 | As is | in stock |
P-505576461 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
P-851259464 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868593421 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-580408230 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889111882 | FluoroChem | In Stock BB | 99 | As is | 122.5 g |
P-505509793 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-580093159 | Iris Biotech GmbH | Building Block Library | N/A | As is | in stock |
P-454412936 | Key Organics | Building Blocks | 97 | As is | 100 g |
P-579614352 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-860795788 | Manchester Organics | Compounds on demand | 98 | As is | by synthesis |
P-852444620 | Matrix Scientific | All | N/A | As is | in stock |
P-855402542 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-885543667 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-868498909 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 466.181 |
logP | 6.5424 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 36.9 |
RO5 violations | 1 |
RO3 violations | 2 |
Refractivity | 104.361 |
Atoms | 48 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 24 |
Heteroatoms | 12 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 7 |
Chiral centers | 0 |
R/S chiral centers | 0 |
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 |