MCULE-6181918432
- 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-6181918432.sdf |
SMILES | MCULE-6181918432.smiles |
Standard InChI | MCULE-6181918432.inchi |
InChIKey | MCULE-6181918432.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886092966 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-3865131 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-428585968 | Eximed | In-stock screening compounds | 90 | As is | 10 mg |
P-502689454 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-427925349 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-14601456 | Life Chemicals | Screening Compounds | 90 | As is | 65 mg |
P-26381846 | Otava | In-House Stock Library | 90 | As is | 10 mg |
P-674672783 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-424827339 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-2903440 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 113 mg |
P-2645470 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 89 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 363.448 |
logP | 4.6438 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 53.68 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 113.414 |
Atoms | 52 |
Rings | 4 |
Heavy atoms | 27 |
Hydrogen atoms | 25 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |