MCULE-9274500443
- 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-9274500443.sdf |
SMILES | MCULE-9274500443.smiles |
Standard InChI | MCULE-9274500443.inchi |
InChIKey | MCULE-9274500443.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852103243 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-615730933 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851608291 | AmBeed | On request | N/A | As is | by synthesis |
P-494330802 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-596419615 | Asinex | General screening catalog | 90 | As is | 126 mg |
P-596515051 | Asinex | General bb catalog | 90 | As is | 126 mg |
P-864263928 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-580289800 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-889423691 | FluoroChem | General BB | N/A | As is | in stock |
P-492221062 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502765747 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-454386240 | Key Organics | Building Blocks | 95 | As is | 38.113 g |
P-18796301 | Key Organics | Screening Compounds and Fragments | 95 | As is | 38.113 g |
P-500391100 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
P-23334626 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-502355352 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611388898 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 179.198 |
logP | 1.73968 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 89.33 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 45.5448 |
Atoms | 17 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 5 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |