MCULE-2445409926
- 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 | 69 USD | 95 | 10 working days | Get Quote |
5 mg | 85 USD | 95 | 10 working days | Get Quote |
10 mg | 117 USD | 95 | 10 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-2445409926.sdf |
SMILES | MCULE-2445409926.smiles |
Standard InChI | MCULE-2445409926.inchi |
InChIKey | MCULE-2445409926.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867621054 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875782855 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-613848423 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851705084 | AmBeed | On request | N/A | As is | by synthesis |
P-494333392 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-596472987 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-596499172 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-889802010 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591023728 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-889326608 | FluoroChem | General BB | 95 | As is | in stock |
P-454405882 | Key Organics | Building Blocks | 95 | As is | 18.137 g |
P-18776495 | Key Organics | Screening Compounds and Fragments | 95 | As is | 18.137 g |
P-852403434 | Matrix Scientific | All | N/A | As is | in stock |
P-854854842 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-502390260 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611542319 | Toronto Research | In stock | 90 | As is | in stock |
P-893710290 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 265.287 |
logP | 2.5255 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 96.89 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 67.4933 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 11 |
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 |