MCULE-2679699560
- 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 | 15 USD | 97 | 22 working days | Get Quote |
5 mg | 15 USD | 97 | 22 working days | Get Quote |
10 mg | 15 USD | 97 | 22 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-2679699560.sdf |
SMILES | MCULE-2679699560.smiles |
Standard InChI | MCULE-2679699560.inchi |
InChIKey | MCULE-2679699560.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867668215 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875839082 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869243386 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436478552 | Alinda | Building Blocks | 95 | As is | 5 g |
P-851933869 | AmBeed | In stock | N/A | As is | in stock |
P-865928072 | Angene | Building Blocks in stock | 97 | As is | 4.75 g |
P-596377130 | Asinex | General screening catalog | 90 | As is | 10 mg |
P-869391959 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-454738959 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-868637030 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-889311814 | FluoroChem | General BB | N/A | As is | in stock |
P-454382939 | Key Organics | Building Blocks | 90 | As is | 4.91 g |
P-18755876 | Key Organics | Screening Compounds and Fragments | 90 | As is | 4.91 g |
P-852536637 | Matrix Scientific | All | N/A | As is | in stock |
P-854834095 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-873194230 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855235027 | Toronto Research | In stock | 90 | As is | in stock |
P-588721088 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
P-886897184 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 291.324 |
logP | 3.0473 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 83.06 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 75.0358 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 13 |
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 |