MCULE-6177914685-0
- 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 | 7 USD | 99 | 14 working days | Get Quote |
5 mg | 7 USD | 99 | 14 working days | Get Quote |
10 mg | 7 USD | 99 | 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-3535374816-1
- Component type: Main
-
1
MCULE-5932450224-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6177914685-0.sdf |
SMILES | MCULE-6177914685-0.smiles |
Standard InChI | MCULE-6177914685-0.inchi |
InChIKey | MCULE-6177914685-0.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-875700917 | N/A | As is | in stock |
P-869182300 | 97 | As is | in stock |
P-505393151 | 99 | As is | in stock |
P-903024568 | 99 | As is | 24 kg |
P-606878256 | N/A | As is | in stock |
P-596939068 | 99 | As is | 27 kg |
P-895928086 | 95 | As is | by resynthesis (? - ? days) |
P-864208327 | 95 | As is | in stock |
P-584628221 | 99 | As is | 100 g |
P-868626080 | 98 | As is | in stock |
P-862145475 | 99 | As is | 29.3016 kg |
P-889117669 | 99 | As is | 25 g |
P-870646891 | N/A | As is | in stock |
P-855992974 | 99 | As is | 100 mg |
P-524165937 | 99 | As is | 1000 g |
P-852510060 | N/A | As is | in stock |
P-885547883 | 95 | As is | by synthesis |
P-906900747 | 99 | As is | in stock |
P-611497015 | 90 | As is | in stock |
P-615448736 | 95 | As is | in stock |
P-875740366 | N/A | Main component as a main component | in stock |
P-869194553 | 95 | Main component as a main component | in stock |
P-590404622 | 98 | Main component as a main component | in stock |
P-903070597 | 99 | Main component as a main component | 1.5 kg |
P-606833884 | N/A | Main component as a main component | in stock |
P-489135358 | 97 | Main component as a main component | in stock |
P-596952690 | 95 | Main component as a main component | 4.5 kg |
P-864141760 | 95 | Main component as a main component | in stock |
P-580734460 | 95 | Main component as a main component | 35 g |
P-893222042 | 95 | Main component as a main component | in stock |
P-868605272 | 98 | Main component as a main component | in stock |
P-862032784 | 95 | Main component as a main component | 5.02405 kg |
P-870646893 | 98 | Main component as a main component | in stock |
P-596564032 | 95 | Main component as a main component | 500 g |
P-852467964 | N/A | Main component as a main component | in stock |
P-885547882 | 95 | Main component as a main component | by synthesis |
P-675096291 | 90 | Main component as a main component | in stock |
P-906774698 | 99 | Main component as a main component | by synthesis |
P-611497016 | 90 | Main component as a main component | in stock |
P-615413149 | 95 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 175.226 |
logP | 0.2135 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 66.15 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 35.8634 |
Atoms | 17 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 6 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 1 |
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 |