MCULE-9877835712-0
- 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 | 70 USD | 90 | 22 working days | Get Quote |
5 mg | 102 USD | 90 | 22 working days | Get Quote |
10 mg | 415 USD | 97 | 24 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-8281908325-0
- Component type: Main
-
1
MCULE-6647815245-2
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9877835712-0.sdf |
SMILES | MCULE-9877835712-0.smiles |
Standard InChI | MCULE-9877835712-0.inchi |
InChIKey | MCULE-9877835712-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-4854056 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-851848454 | AmBeed | On request | N/A | Main component | by synthesis |
P-591124129 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
P-895825987 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-491190874 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 313.346 |
logP | 1.4103 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 9 |
PSA | 105.09 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 81.0933 |
Atoms | 45 |
Rings | 1 |
Heavy atoms | 22 |
Hydrogen atoms | 23 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |