MCULE-5569170681
- 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 | 22 working days | Get Quote |
5 mg | 11 USD | 98 | 14 working days | Get Quote |
10 mg | 13 USD | 98 | 22 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-5569170681.sdf |
SMILES | MCULE-5569170681.smiles |
Standard InChI | MCULE-5569170681.inchi |
InChIKey | MCULE-5569170681.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867566457 | 98 | As is | in stock |
P-875725605 | N/A | As is | in stock |
P-505350580 | 98 | As is | in stock |
P-505401750 | 95 | As is | in stock |
P-903054893 | 98 | As is | 15 g |
P-893442643 | 90 | As is | 22.89 g |
P-606848010 | N/A | As is | in stock |
P-489145206 | 97 | As is | in stock |
P-596947164 | 98 | As is | 50 g |
P-580193536 | 98 | As is | in stock |
P-895926649 | 95 | As is | by resynthesis (? - ? days) |
P-864087899 | 97 | As is | in stock |
P-860056063 | 98 | As is | by synthesis |
P-580698571 | 98 | As is | 12.95 g |
P-871218453 | N/A | As is | by resynthesis (? - ? days) |
P-893238821 | 95 | As is | in stock |
P-851242900 | 95 | As is | by synthesis |
P-860799577 | 98 | As is | in stock |
P-1263295306 | 97 | As is | in stock |
P-579479314 | 95 | As is | in stock |
P-861978134 | 95 | As is | 17.071 g |
P-870653063 | 98 | As is | in stock |
P-505536742 | 95 | As is | in stock |
P-524167059 | 95 | As is | 100 mg |
P-852520971 | N/A | As is | in stock |
P-905147462 | 95 | As is | by synthesis |
P-854712670 | 95 | As is | in stock |
P-474027765 | 95 | As is | in stock |
P-608270233 | 98 | As is | in stock |
P-500411163 | 97 | As is | by synthesis |
P-889866783 | 95 | As is | by synthesis |
P-579710256 | N/A | As is | in stock |
P-869162028 | 95 | As is | by synthesis |
P-892296997 | 95 | As is | 344 mg |
P-888657422 | 95 | As is | 344 mg |
P-666985281 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 282.289 |
logP | 3.1901 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 67.51 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 81.4668 |
Atoms | 35 |
Rings | 3 |
Heavy atoms | 21 |
Hydrogen atoms | 14 |
Heteroatoms | 4 |
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 |