MCULE-9787336199-1
- 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 | 36 USD | N/A | 9 working days | Get Quote |
5 mg | 86 USD | N/A | 9 working days | Get Quote |
10 mg | 112 USD | N/A | 9 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.
-
1
MCULE-4465783011-2
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9787336199-1.sdf |
SMILES | MCULE-9787336199-1.smiles |
Standard InChI | MCULE-9787336199-1.inchi |
InChIKey | MCULE-9787336199-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867616728 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875777876 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-903120983 | Aaron Chemicals LLC | Predominantly Building Block | 99 | As is | 200 mg |
P-901411473 | FluoroChem | General BB | N/A | As is | in stock |
P-867616426 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
P-875777725 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-903120771 | Aaron Chemicals LLC | Predominantly Building Block | 98 | Main component | 500 mg |
P-892945203 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-872840287 | A2B Chem | Predominantly Building Block in stock | 99 | Main component as a main component | in stock |
P-875873593 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-903367609 | Aaron Chemicals LLC | Predominantly Building Block | N/A | Main component as a main component | 100 mg |
Property | Value |
---|---|
Components | 3 |
Mass | 438.308 |
logP | 4.59548 |
H-bond acceptors | 9 |
H-bond donors | 3 |
Rotatable bonds | 8 |
PSA | 134.76 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 113.1078 |
Atoms | 50 |
Rings | 3 |
Heavy atoms | 29 |
Hydrogen atoms | 21 |
Heteroatoms | 11 |
N/O atoms | 9 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |