MCULE-3443820654-0
- 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 | 63 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-5863404237-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3443820654-0.sdf |
SMILES | MCULE-3443820654-0.smiles |
Standard InChI | MCULE-3443820654-0.inchi |
InChIKey | MCULE-3443820654-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-488547641 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-24366162 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-895548298 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-454367009 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-13674506 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-675098951 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-889852891 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-617769095 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.003 g |
P-617714908 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.003 g |
P-867418374 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-895548299 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-873221464 | TimTec | Building Block Collection | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 226.701 |
logP | 3.0087 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 46.33 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 65.9224 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 15 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |