MCULE-6699530749
- 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 | 50 USD | 90 | 21 working days | Get Quote |
5 mg | 80 USD | 90 | 21 working days | Get Quote |
10 mg | 88 USD | N/A | 17 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-6699530749.sdf |
SMILES | MCULE-6699530749.smiles |
Standard InChI | MCULE-6699530749.inchi |
InChIKey | MCULE-6699530749.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-886660241 | 95 | As is | in stock |
P-901288893 | N/A | As is | in stock |
P-869347223 | 95 | As is | in stock |
P-903225880 | 95 | As is | 2.5 g |
P-851643054 | N/A | As is | by synthesis |
P-889810288 | 95 | As is | by synthesis |
P-611180820 | 95 | As is | by synthesis |
P-901438886 | 95 | As is | by synthesis |
P-3378313 | 90 | As is | 10 mg |
P-870581761 | 95 | As is | in stock |
P-854842418 | 95 | As is | by synthesis |
P-13017949 | 90 | As is | 42 mg |
P-19040825 | 90 | As is | in stock |
P-453961663 | 90 | As is | 167 mg |
P-855236479 | 90 | As is | in stock |
P-893751244 | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 297.372 |
logP | 3.0701 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 83.06 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 80.0343 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 19 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |