MCULE-6588451461
- 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 | 254 USD | 95 | 18 working days | Get Quote |
5 mg | 254 USD | 95 | 18 working days | Get Quote |
10 mg | 254 USD | 95 | 18 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.
-
MCULE-9924092904
- Component type: Main
-
MCULE-9723549387
- Component type: Main
Name | File |
---|---|
SDF | MCULE-6588451461.sdf |
SMILES | MCULE-6588451461.smiles |
Standard InChI | MCULE-6588451461.inchi |
InChIKey | MCULE-6588451461.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886526943 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889901627 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-853443195 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851770660 | AmBeed | On request | N/A | As is | by synthesis |
P-590955315 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-505507625 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-874438330 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-886926157 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
P-867431081 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-872938265 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-851462664 | AmBeed | On request | N/A | As a main component | by synthesis |
P-851562469 | AmBeed | On request | N/A | As a main component | by synthesis |
P-590762031 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-590940051 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-851271347 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
P-889299093 | FluoroChem | General BB | 95 | As a main component | in stock |
P-454302310 | Key Organics | Screening Compounds and Fragments | 90 | As a main component | unavailable |
P-579629696 | LabSeeker, Inc | Stock Collection | 95 | As a main component | in stock |
P-852450594 | Matrix Scientific | All | N/A | As a main component | in stock |
P-863857498 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-502360536 | TimTec | Building Block Collection | 90 | As a main component | in stock |
P-886936902 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 123.156 |
logP | 1.404 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 64.93 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 36.3148 |
Atoms | 18 |
Rings | 1 |
Heavy atoms | 9 |
Hydrogen atoms | 9 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |