MCULE-8905457274
- 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 | 63 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.
Name | File |
---|---|
SDF | MCULE-8905457274.sdf |
SMILES | MCULE-8905457274.smiles |
Standard InChI | MCULE-8905457274.inchi |
InChIKey | MCULE-8905457274.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867479941 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-894658134 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851634423 | AmBeed | On request | N/A | As is | by synthesis |
P-611091392 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-889316902 | FluoroChem | General BB | 97 | As is | in stock |
P-852551407 | Matrix Scientific | All | N/A | As is | in stock |
P-854843803 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-445350273 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 229 mg |
P-596730407 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-855336113 | Toronto Research | In stock | 90 | As is | in stock |
P-578057191 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 50 mg |
P-893791495 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-893780874 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 160.171 |
logP | 0.8551 |
H-bond acceptors | 5 |
H-bond donors | 3 |
Rotatable bonds | 4 |
PSA | 92.42 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 38.8259 |
Atoms | 23 |
Rings | 0 |
Heavy atoms | 11 |
Hydrogen atoms | 12 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |