MCULE-9529790389
- 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 | 20 working days | Get Quote |
5 mg | 7 USD | 98 | 20 working days | Get Quote |
10 mg | 7 USD | 98 | 20 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.
Name | File |
---|---|
SDF | MCULE-9529790389.sdf |
SMILES | MCULE-9529790389.smiles |
Standard InChI | MCULE-9529790389.inchi |
InChIKey | MCULE-9529790389.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867568896 | 98 | As is | in stock |
P-875728991 | N/A | As is | in stock |
P-590383882 | 95 | As is | in stock |
P-903058559 | 98 | As is | 700 g |
P-905484340 | 97 | As is | 10 g |
P-893517128 | 90 | As is | 1.68447 kg |
P-901165788 | 98 | As is | in stock |
P-606925274 | N/A | As is | in stock |
P-489174524 | 97 | As is | in stock |
P-597010027 | 98 | As is | 600 g |
P-552041150 | 95 | As is | by resynthesis (? - ? days) |
P-864130655 | 95 | As is | in stock |
P-619603433 | 98 | As is | 41 g |
P-492247143 | 95 | As is | in stock |
P-504734576 | 85 | As is | 5 mg |
P-454754950 | 90 | As is | in stock |
P-454691043 | 90 | As is | in stock |
P-607762981 | 90 | As is | 26 mg |
P-436445758 | 95 | As is | 25 g |
P-34892519 | 90 | As is | in stock |
P-851245806 | 95 | As is | by synthesis |
P-868641496 | 98 | As is | in stock |
P-34526072 | 90 | As is | in stock |
P-580775152 | 90 | As is | by resynthesis (? - ? days) |
P-580764636 | 90 | As is | in stock |
P-580270751 | 95 | As is | by resynthesis (? - ? days) |
P-905329877 | 95 | As is | 45 g |
P-861930229 | 95 | As is | 723.902 g |
P-590338306 | 90 | As is | 1000 mg |
P-890215872 | 90 | As is | in stock |
P-502455200 | 95 | As is | by synthesis |
P-503433367 | 90 | As is | by synthesis |
P-502684666 | 90 | As is | in stock |
P-492214388 | 95 | As is | in stock |
P-870640052 | 97 | As is | 100 mg |
P-596568734 | 97 | As is | 5 g |
P-608099186 | 95 | As is | unavailable |
P-467885177 | 95 | As is | by synthesis |
P-601069711 | 90 | As is | 171 mg |
P-580474708 | N/A | As is | by synthesis |
P-852395955 | N/A | As is | in stock |
P-854757321 | 95 | As is | in stock |
P-500384386 | 98 | As is | by synthesis |
P-856063321 | 95 | As is | in stock |
P-34127031 | 90 | As is | in stock |
P-502330596 | 90 | As is | in stock |
P-22496492 | 90 | As is | 883 mg |
P-906794590 | 98 | As is | by synthesis |
P-611476475 | 90 | As is | in stock |
P-1176383 | 90 | As is | 1.36 g |
P-615437215 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 186.234 |
logP | 2.2298 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 80.57 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 46.7421 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 10 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |