MCULE-2120234795
- 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 | 561 USD | 98 | 20 working days | Get Quote |
5 mg | 561 USD | 98 | 20 working days | Get Quote |
10 mg | 561 USD | 98 | 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.
-
MCULE-2312374220
- Component type: Unknown
-
MCULE-7220006753
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2120234795.sdf |
SMILES | MCULE-2120234795.smiles |
Standard InChI | MCULE-2120234795.inchi |
InChIKey | MCULE-2120234795.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893114511 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-891645117 | AmBeed | In stock | N/A | As is | in stock |
P-895107427 | Angene | Building Blocks in stock | 98 | As is | 5 g |
P-896032218 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-895588140 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-855290424 | Toronto Research | In stock | 90 | As is | in stock |
P-895716699 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-856107255 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 214.283 |
logP | 3.3116 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 62.75 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 55.5708 |
Atoms | 28 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 14 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |