MCULE-3363362357-0
- 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 | 62 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.
-
MCULE-2789617835-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3363362357-0.sdf |
SMILES | MCULE-3363362357-0.smiles |
Standard InChI | MCULE-3363362357-0.inchi |
InChIKey | MCULE-3363362357-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-885949426 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889960464 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-675513644 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-675477449 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-563700709 | Key Organics | Building Blocks | 95 | As is | 50 mg |
P-869018073 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-423837312 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
P-492275849 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
P-19377498 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-2975502 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 192 mg |
P-617604811 | Specs | Screening Compounds | 90 | As a main component | 264 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 287.353 |
logP | 2.9179 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 50.72 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 82.4565 |
Atoms | 42 |
Rings | 2 |
Heavy atoms | 21 |
Hydrogen atoms | 21 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |