MCULE-5146683218
- 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 | 10 USD | N/A | 9 working days | Get Quote |
5 mg | 10 USD | N/A | 9 working days | Get Quote |
10 mg | 12 USD | N/A | 9 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-7139324193
- Component type: Unknown
-
MCULE-9596885796
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5146683218.sdf |
SMILES | MCULE-5146683218.smiles |
Standard InChI | MCULE-5146683218.inchi |
InChIKey | MCULE-5146683218.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875704435 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-505403962 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-580197464 | Aldlab Chemicals | Building Block Stock | 95 | As is | 50 g |
P-851948541 | AmBeed | In stock | N/A | As is | in stock |
P-865904897 | Angene | Building Blocks in stock | 98 | As is | 36.4 g |
P-864095918 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-505546334 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-580007495 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-580048438 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-869161158 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892295141 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888656380 | TargetMol | Screening Compounds - stock amount | 95 | As is | 179 mg |
P-893992385 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-852093027 | A2B Chem | Predominantly Building Block on demand | 98 | As a main component | by synthesis |
P-895168736 | AmBeed | In stock | N/A | As a main component | in stock |
P-892189903 | Angene | Building Blocks in stock | 98 | As a main component | 25 g |
P-893236977 | Biosynth | In Stock | 95 | As a main component | in stock |
P-675206480 | Life Chemicals | Screening Compounds | 90 | As a main component | 254 mg |
P-855367428 | Toronto Research | In stock | 90 | As a main component | in stock |
P-524444450 | Key Organics | Biochemicals | 97 | As a component | 5.154 g |
Property | Value |
---|---|
Components | 1 |
Mass | 411.490 |
logP | 4.2259 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 13 |
PSA | 92.7 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 115.7795 |
Atoms | 59 |
Rings | 2 |
Heavy atoms | 30 |
Hydrogen atoms | 29 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 2 |
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 |