MCULE-6168451754
- 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 | 50 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.
Name | File |
---|---|
SDF | MCULE-6168451754.sdf |
SMILES | MCULE-6168451754.smiles |
Standard InChI | MCULE-6168451754.inchi |
InChIKey | MCULE-6168451754.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867413221 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-5847261 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-619930151 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-584555988 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
P-192261 | Chemical Block | Screening Library | 90 | As is | 1 mg |
P-596593025 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-864026650 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-19115165 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885527780 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-464679629 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.682 g |
P-852572 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.682 g |
Property | Value |
---|---|
Components | 1 |
Mass | 340.779 |
logP | 4.318 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 78.05 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 82.5975 |
Atoms | 35 |
Rings | 2 |
Heavy atoms | 22 |
Hydrogen atoms | 13 |
Heteroatoms | 7 |
N/O atoms | 5 |
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 |