MCULE-7434719386
- 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 | 22 USD | N/A | 20 working days | Get Quote |
5 mg | 22 USD | N/A | 20 working days | Get Quote |
10 mg | 22 USD | N/A | 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-7434719386.sdf |
SMILES | MCULE-7434719386.smiles |
Standard InChI | MCULE-7434719386.inchi |
InChIKey | MCULE-7434719386.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875696046 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-865903400 | Angene | Building Blocks in stock | N/A | As is | 250 g |
P-855910192 | Key Organics | Building Blocks | 98 | As is | 1000 mg |
P-19098095 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-889866850 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33163088 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
P-825206 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.092 g |
P-868501267 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 862.051 |
logP | 2.6798 |
H-bond acceptors | 17 |
H-bond donors | 4 |
Rotatable bonds | 14 |
PSA | 226.28 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 219.6102 |
Atoms | 135 |
Rings | 3 |
Heavy atoms | 60 |
Hydrogen atoms | 75 |
Heteroatoms | 17 |
N/O atoms | 17 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 18 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 18 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |