MCULE-5167231573
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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-9494932711
- Component type: Main
-
1
MCULE-3867000095
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5167231573.sdf |
SMILES | MCULE-5167231573.smiles |
Standard InChI | MCULE-5167231573.inchi |
InChIKey | MCULE-5167231573.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892938877 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-870652733 | Glentham Life Sciences | Compounds typically in stock | 98 | Main component | in stock |
P-31194830 | LaboTest | Screening Collection | 90 | Main component | 100 mg |
P-888841161 | PharmaBlock | On demand | N/A | Main component | by synthesis |
P-868130051 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-33162407 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 87 mg |
P-594188007 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 10 mg |
P-893999590 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 634.471 |
logP | 1.7262 |
H-bond acceptors | 12 |
H-bond donors | 4 |
Rotatable bonds | 8 |
PSA | 171.65 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 153.8367 |
Atoms | 73 |
Rings | 5 |
Heavy atoms | 41 |
Hydrogen atoms | 32 |
Heteroatoms | 13 |
N/O atoms | 12 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 5 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 5 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |