MCULE-2486500721
- 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 | 28 USD | 92 | 18 working days | Get Quote |
5 mg | 43 USD | 92 | 18 working days | Get Quote |
10 mg | 54 USD | 92 | 18 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-2486500721.sdf |
SMILES | MCULE-2486500721.smiles |
Standard InChI | MCULE-2486500721.inchi |
InChIKey | MCULE-2486500721.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893008616 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-428580126 | Eximed | In-stock screening compounds | 90 | As is | 40 mg |
P-502958474 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-13936465 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-26375626 | Otava | In-House Stock Library | 90 | As is | 40 mg |
P-674708867 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-19008853 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-578060940 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 374.344 |
logP | 0.7593 |
H-bond acceptors | 9 |
H-bond donors | 3 |
Rotatable bonds | 9 |
PSA | 134.94 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 93.4112 |
Atoms | 45 |
Rings | 3 |
Heavy atoms | 27 |
Hydrogen atoms | 18 |
Heteroatoms | 9 |
N/O atoms | 9 |
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 |