MCULE-5371407715
- 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 | 36 USD | 92 | 18 working days | Get Quote |
5 mg | 56 USD | 92 | 18 working days | Get Quote |
10 mg | 70 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.
-
MCULE-5770965768
- Component type: Main
-
MCULE-2605801080
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5371407715.sdf |
SMILES | MCULE-5371407715.smiles |
Standard InChI | MCULE-5371407715.inchi |
InChIKey | MCULE-5371407715.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892978634 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-502455472 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-503143484 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-502638683 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492214349 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-13937593 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-617709315 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 195 mg |
P-13165873 | Otava | In-House Stock Library | 90 | As is | 195 mg |
P-674706847 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-856064155 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1000 mg |
P-868126369 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-454207452 | Specs | Screening Compounds | 90 | As is | 18 mg |
P-902592063 | Specs | Natural Products | 80 | As is | 18 mg |
P-33456292 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502350479 | TimTec | Building Block Collection | 90 | As is | in stock |
P-25673938 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
P-675522554 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
P-580010462 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
P-492240656 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 180.243 |
logP | 2.4535 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 37.3 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 51.5408 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 16 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |