MCULE-4374054066
- 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 | 5 USD | 90 | 22 working days | Get Quote |
5 mg | 5 USD | 90 | 22 working days | Get Quote |
10 mg | 5 USD | 90 | 22 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-4374054066.sdf |
SMILES | MCULE-4374054066.smiles |
Standard InChI | MCULE-4374054066.inchi |
InChIKey | MCULE-4374054066.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867585607 | A2B Chem | Predominantly Building Block in stock | 90 | As is | in stock |
P-867414320 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-887313188 | AK Scientific | Building Blocks | 90 | As is | in stock |
P-517098350 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-865909928 | Angene | Building Blocks in stock | 90 | As is | 12.5 kg |
P-870661669 | Glentham Life Sciences | Compounds typically in stock | 90 | As is | in stock |
P-488543476 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-855960452 | Key Organics | Building Blocks | 90 | As is | 500 g |
P-596586118 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-608280339 | Molnova | Stock | 98 | As is | in stock |
P-454364084 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-674717293 | Pharmeks LLC | Natural & unique compounds | 92 | As is | 300 mg |
P-18995955 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491252376 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33162967 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
P-3217261 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.949 g |
P-406606 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.949 g |
Property | Value |
---|---|
Components | 1 |
Mass | 204.350 |
logP | 4.7252 |
H-bond acceptors | 0 |
H-bond donors | 0 |
Rotatable bonds | 0 |
PSA | 0.0 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 68.783 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 24 |
Heteroatoms | 0 |
N/O atoms | 0 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |