MCULE-1584695017
- 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 | 97 | 14 working days | Get Quote |
5 mg | 10 USD | 97 | 14 working days | Get Quote |
10 mg | 10 USD | 97 | 14 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-7155889405
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1584695017.sdf |
SMILES | MCULE-1584695017.smiles |
Standard InChI | MCULE-1584695017.inchi |
InChIKey | MCULE-1584695017.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-851477244 | N/A | As is | by synthesis |
P-489240142 | 97 | As is | in stock |
P-895946785 | 95 | As is | by resynthesis (? - ? days) |
P-590803892 | 95 | As is | by synthesis |
P-901438642 | 95 | As is | by synthesis |
P-616225302 | 95 | As is | in stock |
P-4138883 | 90 | As is | 50 mg |
P-861388391 | 95 | As is | by synthesis |
P-580433170 | 95 | As is | by resynthesis (? - ? days) |
P-601062989 | 90 | As is | 200 mg |
P-852422054 | N/A | As is | in stock |
P-874449187 | 95 | As is | in stock |
P-502439539 | 90 | As is | in stock |
P-611397141 | 90 | As is | in stock |
P-867640297 | 96 | Main component | in stock |
P-875806113 | N/A | Main component | in stock |
P-590402392 | 95 | Main component | in stock |
P-903163661 | 97 | Main component | 50 g |
P-851892169 | N/A | Main component | by synthesis |
P-489241022 | 97 | Main component | in stock |
P-494348573 | 95 | Main component | 6.29 g |
P-870024578 | 90 | Main component | 1000 mg |
P-904964467 | 95 | Main component | in stock |
P-591141817 | 97 | Main component | by synthesis |
P-619933887 | 90 | Main component | by synthesis |
P-584577065 | 90 | Main component | 25 mg |
P-436441857 | 90 | Main component | 46.2 g |
P-273785 | 90 | Main component | 1.209 g |
P-436445999 | 95 | Main component | in stock |
P-868599187 | 98 | Main component | in stock |
P-34710567 | 90 | Main component | in stock |
P-881674754 | N/A | Main component | by resynthesis (? - ? days) |
P-502537884 | 95 | Main component | by synthesis |
P-454295205 | 97 | Main component | 136 mg |
P-454390800 | 97 | Main component | 5 g |
P-613335080 | 95 | Main component | by synthesis |
P-852385268 | N/A | Main component | in stock |
P-519759593 | 97 | Main component | 7.9 g |
P-428054548 | 97 | Main component | 1.704 kg |
P-854831767 | 95 | Main component | by synthesis |
P-502336548 | 90 | Main component | in stock |
P-888439766 | 94 | Main component | by resynthesis (? - ? days) |
P-906889239 | 97 | Main component | by synthesis |
P-611591356 | 90 | Main component | in stock |
P-893731907 | 95 | Main component | by synthesis |
P-617323531 | 90 | Main component as a main component | in stock |
P-675089664 | 90 | Main component as a main component | in stock |
P-906836251 | 95 | Main component as a main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 232.749 |
logP | 2.0672 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 32.34 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 71.4557 |
Atoms | 36 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 21 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |