MCULE-8481310289
- 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 | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 62 USD | 90 | 19 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-3037476145
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8481310289.sdf |
SMILES | MCULE-8481310289.smiles |
Standard InChI | MCULE-8481310289.inchi |
InChIKey | MCULE-8481310289.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886289795 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596452772 | Asinex | General screening catalog | 90 | As is | 53 mg |
P-3307050 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-15145566 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
P-306754 | Chemical Block | Screening Library | 90 | As is | 117 mg |
P-34719517 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-502839823 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-601063799 | Life Chemicals | Screening Compounds | 90 | As is | in stock |
P-13034018 | Otava | In-House Stock Library | 90 | As is | 79 mg |
P-23851625 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33483907 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-22515301 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 5 mg |
P-2374212 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
P-502904746 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 307.413 |
logP | 3.6486 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 72.37 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 83.4177 |
Atoms | 42 |
Rings | 2 |
Heavy atoms | 21 |
Hydrogen atoms | 21 |
Heteroatoms | 6 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |