MCULE-7082436494
- 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 | 17 USD | 96 | 20 working days | Get Quote |
5 mg | 17 USD | 96 | 20 working days | Get Quote |
10 mg | 17 USD | 96 | 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-7082436494.sdf |
SMILES | MCULE-7082436494.smiles |
Standard InChI | MCULE-7082436494.inchi |
InChIKey | MCULE-7082436494.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867564023 | 96 | As is | in stock |
P-875723516 | N/A | As is | in stock |
P-590374609 | 95 | As is | in stock |
P-903052462 | 96 | As is | 125 g |
P-893516180 | 90 | As is | 135.457 g |
P-606855141 | N/A | As is | in stock |
P-489241716 | 97 | As is | in stock |
P-596946138 | 96 | As is | 125 g |
P-589654457 | 95 | As is | 1.03 g |
P-864151955 | 95 | As is | in stock |
P-580733805 | 96 | As is | 6.2 g |
P-893231045 | 95 | As is | in stock |
P-851305974 | 95 | As is | by synthesis |
P-861287081 | 95 | As is | in stock |
P-868628325 | 95 | As is | in stock |
P-861957408 | 96 | As is | in stock |
P-905332021 | 96 | As is | 1000 mg |
P-524187671 | 95 | As is | 5 g |
P-854747603 | 95 | As is | in stock |
P-492279586 | 95 | As is | 1000 mg |
P-12679119 | 90 | As is | 1000 mg |
P-888897106 | N/A | As is | in stock |
P-855351888 | 90 | As is | in stock |
P-615450605 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 146.184 |
logP | 1.0122 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 57.53 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 38.7346 |
Atoms | 24 |
Rings | 0 |
Heavy atoms | 10 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |