MCULE-8060052925
- 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 | 22 working days | Get Quote |
5 mg | 6 USD | 98 | 22 working days | Get Quote |
10 mg | 6 USD | 98 | 22 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-8060052925.sdf |
SMILES | MCULE-8060052925.smiles |
Standard InChI | MCULE-8060052925.inchi |
InChIKey | MCULE-8060052925.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867660922 | 98 | As is | in stock |
P-875829816 | N/A | As is | in stock |
P-869181829 | 95 | As is | in stock |
P-505351214 | 98 | As is | in stock |
P-903205932 | 98 | As is | 1.5 kg |
P-606938262 | N/A | As is | in stock |
P-489165924 | 97 | As is | in stock |
P-596972475 | 98 | As is | 900 g |
P-580193202 | 98 | As is | in stock |
P-895926607 | 95 | As is | by resynthesis (? - ? days) |
P-864140608 | 95 | As is | in stock |
P-580698106 | 98 | As is | 632.1 g |
P-901547123 | 95 | As is | by synthesis |
P-893218968 | 95 | As is | in stock |
P-893226651 | 95 | As is | in stock |
P-505574357 | 98 | As is | in stock |
P-577214147 | 90 | As is | 64 mg |
P-851278457 | 95 | As is | by synthesis |
P-580452092 | 98 | As is | in stock |
P-868578723 | 98 | As is | in stock |
P-428630388 | 90 | As is | in stock |
P-492273290 | 95 | As is | 17.4 g |
P-905318206 | 95 | As is | 20 g |
P-862013861 | 95 | As is | in stock |
P-870652315 | N/A | As is | in stock |
P-505495863 | 95 | As is | in stock |
P-580041902 | 90 | As is | in stock |
P-492245620 | 95 | As is | in stock |
P-488555479 | 92 | As is | in stock |
P-488548849 | 90 | As is | in stock |
P-524441587 | 97 | As is | 481 mg |
P-588251193 | N/A | As is | by synthesis |
P-852459299 | N/A | As is | in stock |
P-895186059 | 95 | As is | in stock |
P-854721277 | 95 | As is | in stock |
P-474022399 | 95 | As is | in stock |
P-608275737 | 98 | As is | in stock |
P-34065538 | 90 | As is | 17.4 g |
P-620237480 | 95 | As is | 17.4 g |
P-454367758 | 92 | As is | in stock |
P-13781876 | 92 | As is | 300 mg |
P-500409539 | 98 | As is | by synthesis |
P-856072617 | 95 | As is | in stock |
P-424947009 | 90 | As is | in stock |
P-579711145 | N/A | As is | in stock |
P-869115304 | 95 | As is | by synthesis |
P-892288055 | 95 | As is | 503 mg |
P-888631285 | 95 | As is | 503 mg |
P-873223655 | 90 | As is | in stock |
P-596714769 | 90 | As is | 15 mg |
P-906773941 | 98 | As is | by synthesis |
P-611407922 | 90 | As is | in stock |
P-3227675 | 90 | As is | 1.48 g |
P-2007134 | 90 | As is | 1.48 g |
P-615456539 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 289.151 |
logP | 3.5898 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 71.2608 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 14 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |