MCULE-3922256529-0
- 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 | 6 USD | 85 | 14 working days | Get Quote |
5 mg | 6 USD | 85 | 14 working days | Get Quote |
10 mg | 6 USD | 85 | 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-5387110670-0
- Component type: Main
-
1
MCULE-5646000632-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3922256529-0.sdf |
SMILES | MCULE-3922256529-0.smiles |
Standard InChI | MCULE-3922256529-0.inchi |
InChIKey | MCULE-3922256529-0.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-616218420 | 95 | As is | in stock |
P-869096580 | 95 | As is | in stock |
P-867568414 | 87 | Main component | in stock |
P-860615154 | N/A | Main component | by synthesis |
P-875728002 | N/A | Main component | in stock |
P-588246273 | 85 | Main component | in stock |
P-903056989 | 85 | Main component | 500 g |
P-606840427 | N/A | Main component | in stock |
P-899963272 | N/A | Main component | in stock |
P-489227055 | 97 | Main component | in stock |
P-872726644 | 98 | Main component | in stock |
P-887314718 | 85 | Main component | in stock |
P-889740637 | 95 | Main component | 100 g |
P-901924265 | 60 | Main component | 15.25 g |
P-893232530 | 95 | Main component | in stock |
P-893235597 | 95 | Main component | in stock |
P-851254809 | 95 | Main component | by synthesis |
P-868608918 | 87 | Main component | in stock |
P-905438865 | 98 | Main component | 20.19 g |
P-901390822 | 85 | Main component | 1.89 kg |
P-861976061 | 85 | Main component | 784.76 g |
P-608220525 | 98 | Main component | in stock |
P-608220278 | 85 | Main component | in stock |
P-870663293 | 80 | Main component | in stock |
P-870663307 | 85 | Main component | in stock |
P-870650636 | 89 | Main component | in stock |
P-870662178 | N/A | Main component | in stock |
P-870662179 | N/A | Main component | in stock |
P-524169220 | 90 | Main component | 100 g |
P-878212618 | 95 | Main component | 1000 mg |
P-580470713 | N/A | Main component | by synthesis |
P-852510038 | N/A | Main component | in stock |
P-1263152622 | 95 | Main component | in stock |
P-904639934 | 95 | Main component | in stock |
P-869096927 | 95 | Main component | in stock |
P-620069220 | 90 | Main component | 1000 mg |
P-620223929 | 95 | Main component | 1000 mg |
P-885559690 | 95 | Main component | by synthesis |
P-579413432 | 90 | Main component | in stock |
P-869172801 | 95 | Main component | by synthesis |
P-892309505 | 95 | Main component | in stock |
P-892301655 | 95 | Main component | 1.7 g |
P-888664048 | 95 | Main component | 1.7 g |
P-33369939 | 90 | Main component | in stock |
P-873223071 | 90 | Main component | in stock |
P-464681328 | 90 | Main component | unavailable |
P-25733062 | 90 | Main component | unavailable |
P-580078681 | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 107.109 |
logP | -0.2243 |
H-bond acceptors | 4 |
H-bond donors | 3 |
Rotatable bonds | 1 |
PSA | 60.77 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 24.1957 |
Atoms | 16 |
Rings | 0 |
Heavy atoms | 7 |
Hydrogen atoms | 9 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |