MCULE-2872651680-0
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-2872651680-0.sdf |
SMILES | MCULE-2872651680-0.smiles |
Standard InChI | MCULE-2872651680-0.inchi |
InChIKey | MCULE-2872651680-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892878247 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890024946 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869265712 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-34863166 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436472664 | Alinda | Building Blocks | 95 | As is | in stock |
P-851552790 | AmBeed | On request | N/A | As is | by synthesis |
P-590808164 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-454731012 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-584564439 | ChemDiv | Discovery Chemistry Library | 90 | As is | 6 mg |
P-244999 | Chemical Block | Screening Library | 90 | As is | 268 mg |
P-868636007 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-34507403 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-862069499 | FluoroChem | General BB | N/A | As is | in stock |
P-855977182 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852532648 | Matrix Scientific | All | N/A | As is | in stock |
P-895522004 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-18883746 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33439751 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-888444600 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855361123 | Toronto Research | In stock | 90 | As is | in stock |
P-1851344 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 55 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 279.360 |
logP | 2.2278 |
H-bond acceptors | 5 |
H-bond donors | 3 |
Rotatable bonds | 9 |
PSA | 94.48 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 77.8571 |
Atoms | 36 |
Rings | 1 |
Heavy atoms | 19 |
Hydrogen atoms | 17 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |