MCULE-3595241831
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-3595241831.sdf |
SMILES | MCULE-3595241831.smiles |
Standard InChI | MCULE-3595241831.inchi |
InChIKey | MCULE-3595241831.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892979439 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-517097270 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-596325508 | Asinex | General screening catalog | 90 | As is | 114 mg |
P-4846970 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-579487042 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 80 mg |
P-492220655 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502466657 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-12636304 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-454357577 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
P-852236048 | Life Chemicals | Screening Compounds | 90 | As is | 36 mg |
P-864014184 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-445281815 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-579248107 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491252185 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-12626549 | Specs | Screening Compounds | 90 | As is | 15 mg |
P-502355013 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22538906 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 200 mg |
P-2166009 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 268.335 |
logP | 3.1076 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 60.19 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 79.061 |
Atoms | 31 |
Rings | 3 |
Heavy atoms | 19 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |