MCULE-9236781222
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 62 USD | 90 | 19 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-7662254879
- Component type: Main
-
1
MCULE-6152801555
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9236781222.sdf |
SMILES | MCULE-9236781222.smiles |
Standard InChI | MCULE-9236781222.inchi |
InChIKey | MCULE-9236781222.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-619316051 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
P-13298696 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-675080600 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-617739229 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 217 mg |
P-875792187 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-895099729 | Angene | Building Blocks in stock | 95 | Main component as a main component | 200 mg |
P-873245695 | Key Organics | Building Blocks | 95 | Main component as a main component | 10 mg |
P-856018004 | LaboTest | Screening Collection | 90 | Main component as a main component | unavailable |
P-13267532 | Pharmeks LLC | Natural & unique compounds | 92 | Main component as a main component | 183 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 431.308 |
logP | -0.9617 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 105.5038 |
Atoms | 49 |
Rings | 3 |
Heavy atoms | 23 |
Hydrogen atoms | 26 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |