MCULE-3157590076
- 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 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 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-3157590076.sdf |
SMILES | MCULE-3157590076.smiles |
Standard InChI | MCULE-3157590076.inchi |
InChIKey | MCULE-3157590076.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852198081 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-489114959 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-504750960 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | in stock |
P-596586065 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-588249784 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852607298 | Matrix Scientific | All | N/A | As is | in stock |
P-885522542 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-19533135 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22449613 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 108 mg |
P-855351753 | Toronto Research | In stock | 90 | As is | in stock |
P-3216651 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.041 g |
P-1256827 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.041 g |
Property | Value |
---|---|
Components | 1 |
Mass | 243.282 |
logP | 1.5648 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 91.85 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 59.8175 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 16 |
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 |