MCULE-6199827018-0
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 45 USD | 90 | 22 working days | Get Quote |
10 mg | 60 USD | 90 | 22 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-6199827018-0.sdf |
SMILES | MCULE-6199827018-0.smiles |
Standard InChI | MCULE-6199827018-0.inchi |
InChIKey | MCULE-6199827018-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892999799 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-4381962 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-3451349 | ChemDiv | Discovery Chemistry Library | 90 | As is | 63 mg |
P-502887220 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502448649 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-503861551 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-12690025 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-19025499 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-2163700 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 101 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 331.237 |
logP | 3.5729 |
H-bond acceptors | 10 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 158.04 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 85.2595 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 24 |
Hydrogen atoms | 9 |
Heteroatoms | 10 |
N/O atoms | 10 |
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 |