MCULE-4205860758
- 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 | 10 USD | 98 | 8 working days | Get Quote |
5 mg | 10 USD | 98 | 8 working days | Get Quote |
10 mg | 10 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.
Name | File |
---|---|
SDF | MCULE-4205860758.sdf |
SMILES | MCULE-4205860758.smiles |
Standard InChI | MCULE-4205860758.inchi |
InChIKey | MCULE-4205860758.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867586765 | 98 | As is | in stock |
P-875745354 | N/A | As is | in stock |
P-597018068 | 95 | As is | in stock |
P-590367847 | 98 | As is | in stock |
P-903076273 | 98 | As is | 400 g |
P-893576383 | 90 | As is | 632.38 g |
P-606942576 | N/A | As is | in stock |
P-489136245 | 97 | As is | in stock |
P-596984215 | 98 | As is | 200 g |
P-895957001 | 95 | As is | 51.1 g |
P-864088518 | 97 | As is | in stock |
P-616205742 | 98 | As is | 58 g |
P-290723 | 90 | As is | 10 mg |
P-861305431 | 95 | As is | 10 g |
P-868642183 | 98 | As is | in stock |
P-580271332 | 95 | As is | by resynthesis (? - ? days) |
P-862035416 | 97 | As is | 41.67 g |
P-905347451 | 97 | As is | 7 g |
P-502452744 | 95 | As is | by synthesis |
P-12542228 | 95 | As is | 166 mg |
P-454313182 | 90 | As is | 213 mg |
P-454399418 | 90 | As is | 50 g |
P-579680733 | 95 | As is | by resynthesis (? - ? days) |
P-31197693 | 90 | As is | unavailable |
P-588862284 | 90 | As is | 50 mg |
P-852425653 | N/A | As is | in stock |
P-35166055 | 90 | As is | 13.85 kg |
P-863734586 | 95 | As is | in stock |
P-608279279 | 98 | As is | in stock |
P-500392779 | 98 | As is | by synthesis |
P-885535720 | 95 | As is | by synthesis |
P-424840187 | 90 | As is | in stock |
P-617404855 | N/A | As is | in stock |
P-12651423 | 90 | As is | 1.04 g |
P-580052686 | 95 | As is | by synthesis |
P-869178811 | 95 | As is | in stock |
P-892300912 | 95 | As is | unavailable |
P-892352845 | 95 | As is | 100 mg |
P-22442933 | 90 | As is | 20 mg |
P-611604317 | 90 | As is | in stock |
P-1829734 | 90 | As is | 584 mg |
P-615406644 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 218.205 |
logP | 1.9697 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 56.51 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 58.5705 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 10 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |