MCULE-9338528002
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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.
-
1
MCULE-8158289187
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9338528002.sdf |
SMILES | MCULE-9338528002.smiles |
Standard InChI | MCULE-9338528002.inchi |
InChIKey | MCULE-9338528002.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-3346480 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-24332176 | InterBioScreen | Screening Compounds | 92 | As is | 206 mg |
P-13593919 | Pharmeks LLC | Synthetic compounds | 92 | As is | 206 mg |
P-861454135 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
P-892816248 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
P-852574283 | Matrix Scientific | All | N/A | Main component | in stock |
P-895632302 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-19135254 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-1844661 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 70 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 263.760 |
logP | 4.2933 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 21.26 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 77.4797 |
Atoms | 36 |
Rings | 3 |
Heavy atoms | 18 |
Hydrogen atoms | 18 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |