MCULE-9977726218
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 64 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.
-
MCULE-2457790340
- Component type: Main
-
MCULE-9441875716
- Component type: Main
-
MCULE-4313709368
- Component type: Main
-
MCULE-7065494107
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9977726218.sdf |
SMILES | MCULE-9977726218.smiles |
Standard InChI | MCULE-9977726218.inchi |
InChIKey | MCULE-9977726218.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-895530049 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-892979003 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-894645338 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-675271825 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
P-675271827 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
P-675271856 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
P-502485854 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
P-675527646 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
P-675527647 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
P-675344271 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
P-675487994 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
P-492243897 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
P-617805593 | InterBioScreen | Building Blocks | 90 | As a main component | in stock |
P-617879457 | InterBioScreen | Screening Compounds | 92 | As a main component | 300 mg |
P-617817316 | InterBioScreen | Screening Compounds | 92 | As a main component | 300 mg |
P-617186192 | Life Chemicals | Building Blocks - virtual | 95 | As a main component | by synthesis |
P-854947624 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-895596084 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-674717899 | Pharmeks LLC | Building Blocks | 92 | As a main component | in stock |
P-675095939 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-675117724 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-855284892 | Toronto Research | In stock | 90 | As a main component | in stock |
P-617785641 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 110 mg |
P-617715118 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As a main component | 1.019 g |
P-617764982 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 1.019 g |
Property | Value |
---|---|
Components | 1 |
Mass | 211.333 |
logP | 1.4495 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 125.44 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 51.5207 |
Atoms | 20 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 9 |
Heteroatoms | 6 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |