MCULE-2097770859
- 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.
Name | File |
---|---|
SDF | MCULE-2097770859.sdf |
SMILES | MCULE-2097770859.smiles |
Standard InChI | MCULE-2097770859.inchi |
InChIKey | MCULE-2097770859.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872802997 | A2B Chem | Predominantly Building Block on demand | 88 | As is | by synthesis |
P-894650030 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851697753 | AmBeed | On request | N/A | As is | by synthesis |
P-591050064 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454763914 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-619343094 | ChemDiv | Discovery Chemistry Library | 90 | As is | 29 mg |
P-34609058 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580771403 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580783701 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-862087792 | FluoroChem | General BB | N/A | As is | in stock |
P-854880427 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23884387 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491135822 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33491810 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502347955 | TimTec | Building Block Collection | 90 | As is | in stock |
P-1240015 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 155 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 225.626 |
logP | 1.6776 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 58.89 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 58.5928 |
Atoms | 23 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 8 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |