MCULE-4540172822
- 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 | 19 USD | 92 | 18 working days | Get Quote |
5 mg | 24 USD | 95 | 37 working days | Get Quote |
10 mg | 24 USD | 95 | 37 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-4272245667
- Component type: Main
-
1
MCULE-1176533515
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-4540172822.sdf |
SMILES | MCULE-4540172822.smiles |
Standard InChI | MCULE-4540172822.inchi |
InChIKey | MCULE-4540172822.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-893510869 | 90 | As is | 260 mg |
P-854062444 | 90 | As is | in stock |
P-854454588 | 95 | As is | 300 mg |
P-454307651 | 90 | As is | 568 mg |
P-454397510 | 90 | As is | 568 mg |
P-613281189 | 95 | As is | by synthesis |
P-852451451 | N/A | As is | in stock |
P-454371601 | 92 | As is | in stock |
P-864676654 | 92 | As is | 300 mg |
P-502348512 | 90 | As is | in stock |
P-611440352 | 90 | As is | in stock |
P-867606275 | 98 | Main component | in stock |
P-875764740 | N/A | Main component | in stock |
P-590416913 | 98 | Main component | in stock |
P-901481265 | 95 | Main component | by synthesis |
P-872693943 | 95 | Main component | in stock |
P-675062424 | 90 | Main component | in stock |
P-861275129 | 95 | Main component | in stock |
P-580276944 | 95 | Main component | by resynthesis (? - ? days) |
P-505535072 | 95 | Main component | in stock |
P-580046646 | 90 | Main component | in stock |
P-596594064 | 90 | Main component | 5 g |
P-579632461 | 96 | Main component | by resynthesis (? - ? days) |
P-852483162 | N/A | Main component | in stock |
P-500379639 | 98 | Main component | by synthesis |
P-885528998 | 95 | Main component | by synthesis |
P-675114973 | 90 | Main component | in stock |
P-502361415 | 90 | Main component | in stock |
P-23195932 | 94 | Main component | by resynthesis (? - ? days) |
P-611378587 | 90 | Main component | in stock |
P-35133690 | 90 | Main component | 279 mg |
P-867637783 | 95 | Main component as a main component | in stock |
P-875802773 | N/A | Main component as a main component | in stock |
P-903158825 | 97 | Main component as a main component | 5 g |
P-610970800 | 90 | Main component as a main component | 14.13 g |
P-489164955 | 97 | Main component as a main component | in stock |
P-873295472 | 97 | Main component as a main component | 5 g |
P-864109381 | 95 | Main component as a main component | in stock |
P-901462746 | 95 | Main component as a main component | by synthesis |
P-563468029 | 95 | Main component as a main component | 1000 mg |
P-855217603 | 90 | Main component as a main component | in stock |
P-886935268 | 95 | Main component as a main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 377.456 |
logP | 4.0437 |
H-bond acceptors | 6 |
H-bond donors | 3 |
Rotatable bonds | 3 |
PSA | 112.08 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 102.9673 |
Atoms | 49 |
Rings | 3 |
Heavy atoms | 26 |
Hydrogen atoms | 23 |
Heteroatoms | 7 |
N/O atoms | 6 |
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 |