MCULE-8892780595
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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-8892780595.sdf |
SMILES | MCULE-8892780595.smiles |
Standard InChI | MCULE-8892780595.inchi |
InChIKey | MCULE-8892780595.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860638182 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
P-901196416 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-853438278 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851766479 | AmBeed | On request | N/A | As is | by synthesis |
P-489127083 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-591092292 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-901520911 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-577180934 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-502536279 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-502926401 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-864038470 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-26397599 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-19620240 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502379762 | TimTec | Building Block Collection | 90 | As is | in stock |
P-596713294 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 100 mg |
P-611604504 | Toronto Research | In stock | 90 | As is | in stock |
P-2519726 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 16 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 218.273 |
logP | 3.4217 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 65.54 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 61.6803 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 10 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |