MCULE-8692028989-0
- 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 | 27 USD | 95 | 16 working days | Get Quote |
5 mg | 70 USD | 98 | 13 working days | Get Quote |
10 mg | 137 USD | 95 | 16 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-9511346787-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8692028989-0.sdf |
SMILES | MCULE-8692028989-0.smiles |
Standard InChI | MCULE-8692028989-0.inchi |
InChIKey | MCULE-8692028989-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867544895 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875702180 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-613846773 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-872726405 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-871075112 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888641355 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869128783 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-596714149 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 2 mg |
P-611464849 | Toronto Research | In stock | 90 | As is | in stock |
P-611391125 | Toronto Research | In stock | 90 | As is | in stock |
P-886754362 | A2B Chem | Predominantly Building Block in stock | 97 | Main component | in stock |
P-891663541 | AmBeed | On request | N/A | Main component | by synthesis |
P-860056614 | AvaChem Scientific | All products | 98 | Main component | by synthesis |
P-873247072 | Key Organics | Building Blocks | 97 | Main component | 5 mg |
P-872528568 | MedChemExpress | In stock Building Blocks | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 459.321 |
logP | 5.8697 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 83.56 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 123.2154 |
Atoms | 51 |
Rings | 4 |
Heavy atoms | 31 |
Hydrogen atoms | 20 |
Heteroatoms | 9 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |