MCULE-4712780622-0
- 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 | 63 USD | 97 | 15 working days | Get Quote |
5 mg | 63 USD | 97 | 15 working days | Get Quote |
10 mg | 63 USD | 97 | 15 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.
-
MCULE-4185850336-0
- Component type: Main
-
MCULE-4133574217-0
- Component type: Main
-
MCULE-4826847788-0
- Component type: Main
-
MCULE-1009066078-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4712780622-0.sdf |
SMILES | MCULE-4712780622-0.smiles |
Standard InChI | MCULE-4712780622-0.inchi |
InChIKey | MCULE-4712780622-0.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-875805012 | N/A | As is | in stock |
P-615720201 | 95 | As is | in stock |
P-903162963 | 97 | As is | 3 g |
P-893447231 | 90 | As is | 3 g |
P-606930920 | N/A | As is | in stock |
P-489115252 | 97 | As is | in stock |
P-865922006 | 97 | As is | 3 g |
P-589660603 | 95 | As is | by resynthesis (? - ? days) |
P-864201116 | 95 | As is | in stock |
P-616205684 | 97 | As is | 1.782 g |
P-454709588 | 90 | As is | in stock |
P-436458345 | 95 | As is | in stock |
P-851288666 | 95 | As is | by synthesis |
P-868601325 | 95 | As is | in stock |
P-580441001 | 95 | As is | by resynthesis (? - ? days) |
P-500177639 | 96 | As is | in stock |
P-855939375 | 95 | As is | 1000 mg |
P-852430478 | N/A | As is | in stock |
P-854798586 | 95 | As is | by synthesis |
P-888881876 | N/A | As is | in stock |
P-873221450 | 90 | As is | in stock |
P-611575729 | 90 | As is | in stock |
P-615466061 | 95 | As is | in stock |
P-892859430 | 98 | As a main component | in stock |
P-867670815 | 95 | As a main component | in stock |
P-886811255 | 95 | As a main component | in stock |
P-889916729 | N/A | As a main component | by synthesis |
P-890089390 | N/A | As a main component | by synthesis |
P-875844542 | N/A | As a main component | in stock |
P-869231200 | 95 | As a main component | in stock |
P-903424606 | 95 | As a main component | 2.5 g |
P-905002504 | N/A | As a main component | by synthesis |
P-899925233 | N/A | As a main component | by synthesis |
P-851845165 | N/A | As a main component | by synthesis |
P-851918665 | N/A | As a main component | by synthesis |
P-889798270 | 95 | As a main component | by synthesis |
P-896046161 | 95 | As a main component | by synthesis |
P-905541336 | 95 | As a main component | by synthesis |
P-901875696 | 95 | As a main component | by synthesis |
P-611194827 | 97 | As a main component | by synthesis |
P-591063024 | 98 | As a main component | by synthesis |
P-666934610 | 95 | As a main component | in stock |
P-666898041 | 90 | As a main component | 50 mg |
P-851288665 | 95 | As a main component | by synthesis |
P-861399861 | 95 | As a main component | by synthesis |
P-868569915 | 95 | As a main component | in stock |
P-500177640 | 96 | As a main component | in stock |
P-855951692 | 95 | As a main component | 5 g |
P-893746428 | 95 | As a main component | by synthesis |
P-615465680 | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 172.226 |
logP | 2.3451 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 24.92 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 54.3177 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 12 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |