MCULE-2790601934
- 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 | 17 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-2790601934.sdf |
SMILES | MCULE-2790601934.smiles |
Standard InChI | MCULE-2790601934.inchi |
InChIKey | MCULE-2790601934.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852073170 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-890143151 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615729421 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-34862150 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851691136 | AmBeed | On request | N/A | As is | by synthesis |
P-489240323 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-590906106 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-504654395 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 90 | As is | 5 mg |
P-454415048 | Key Organics | Building Blocks | 95 | As is | 12.998 g |
P-18776047 | Key Organics | Screening Compounds and Fragments | 95 | As is | 12.998 g |
P-852416621 | Matrix Scientific | All | N/A | As is | in stock |
P-854928958 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-894582697 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-873228543 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888444893 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-899594163 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 49 mg |
P-855305575 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 367.263 |
logP | 3.9386 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 81.67 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 91.2778 |
Atoms | 36 |
Rings | 3 |
Heavy atoms | 21 |
Hydrogen atoms | 15 |
Heteroatoms | 6 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |