MCULE-5358954015
- 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 | 24 USD | 92 | 18 working days | Get Quote |
5 mg | 38 USD | 92 | 18 working days | Get Quote |
10 mg | 47 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-5358954015.sdf |
SMILES | MCULE-5358954015.smiles |
Standard InChI | MCULE-5358954015.inchi |
InChIKey | MCULE-5358954015.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-885989818 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-874521042 | ChemDiv | Discovery Chemistry Library | 90 | As is | 47 mg |
P-502725986 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-13099093 | InterBioScreen | Screening Compounds | 95 | As is | 300 mg |
P-14082727 | Life Chemicals | Screening Compounds | 90 | As is | 86 mg |
P-624919054 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-12359484 | Otava | In-House Stock Library | 90 | As is | 20 mg |
P-13311819 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-424872017 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-902632977 | Specs | Natural Products | 80 | As is | 32 mg |
P-12353823 | Specs | Screening Compounds | 90 | As is | 32 mg |
P-33858265 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-2876196 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
P-2744434 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 25 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 414.545 |
logP | 4.7178 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 110.4 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 123.807 |
Atoms | 50 |
Rings | 3 |
Heavy atoms | 28 |
Hydrogen atoms | 22 |
Heteroatoms | 7 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |