MCULE-8327589872
- 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 | 98 | 14 working days | Get Quote |
5 mg | 7 USD | 98 | 14 working days | Get Quote |
10 mg | 7 USD | 98 | 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.
-
MCULE-8180759180
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8327589872.sdf |
SMILES | MCULE-8327589872.smiles |
Standard InChI | MCULE-8327589872.inchi |
InChIKey | MCULE-8327589872.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867586507 | 99 | As is | in stock |
P-875745923 | N/A | As is | in stock |
P-535627203 | 95 | As is | in stock |
P-505347705 | 98 | As is | in stock |
P-903076766 | 98 | As is | 3 kg |
P-905481305 | 98 | As is | 100 g |
P-606876900 | N/A | As is | in stock |
P-489139693 | 97 | As is | in stock |
P-596954730 | 98 | As is | 2.5 kg |
P-552039846 | 95 | As is | by resynthesis (? - ? days) |
P-864164209 | 98 | As is | in stock |
P-580699113 | 95 | As is | 3.15 kg |
P-901458636 | 95 | As is | by synthesis |
P-868595933 | 98 | As is | in stock |
P-580437213 | 95 | As is | by resynthesis (? - ? days) |
P-862091569 | 95 | As is | 4.43994 kg |
P-579484460 | 90 | As is | 1.88 g |
P-890204791 | 90 | As is | in stock |
P-502452513 | 95 | As is | by synthesis |
P-503247334 | 90 | As is | by synthesis |
P-524161847 | 98 | As is | 500 g |
P-854692696 | 95 | As is | in stock |
P-584619289 | 95 | As is | in stock |
P-608279599 | 98 | As is | in stock |
P-13385925 | 92 | As is | 300 mg |
P-859956401 | 95 | As is | by synthesis |
P-885550809 | 95 | As is | by synthesis |
P-424840221 | 90 | As is | in stock |
P-580051140 | 95 | As is | by synthesis |
P-869177105 | 95 | As is | in stock |
P-892294874 | 95 | As is | 1000 mg |
P-892337288 | 95 | As is | 1000 mg |
P-502349334 | 90 | As is | in stock |
P-906771332 | 98 | As is | by synthesis |
P-3005465 | 90 | As is | 353 mg |
P-575319320 | 95 | As is | in stock |
P-867467578 | N/A | As a main component | by synthesis |
P-615717081 | 95 | As a main component | in stock |
P-893363010 | 90 | As a main component | by synthesis |
P-851645916 | N/A | As a main component | by synthesis |
P-590971193 | 97 | As a main component | by synthesis |
P-852454746 | N/A | As a main component | in stock |
P-854882290 | 95 | As a main component | by synthesis |
P-855365224 | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 117.107 |
logP | -0.255 |
H-bond acceptors | 5 |
H-bond donors | 4 |
Rotatable bonds | 3 |
PSA | 99.2 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 27.4066 |
Atoms | 15 |
Rings | 0 |
Heavy atoms | 8 |
Hydrogen atoms | 7 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 1 |