MCULE-4977977402
- 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 | 14 USD | 95 | 8 working days | Get Quote |
5 mg | 14 USD | 95 | 8 working days | Get Quote |
10 mg | 14 USD | 95 | 8 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-7881440475
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4977977402.sdf |
SMILES | MCULE-4977977402.smiles |
Standard InChI | MCULE-4977977402.inchi |
InChIKey | MCULE-4977977402.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867525645 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-867454862 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-869185517 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-588246097 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-869363403 | AK Scientific | Building Blocks | N/A | As is | in stock |
P-489164616 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-494328631 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-889740731 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 500 g |
P-580288148 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-896536856 | FluoroChem | In Stock BB | 95 | As is | 25 g |
P-492217954 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502940434 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-454400552 | Key Organics | Building Blocks | 95 | As is | 925.39 g |
P-454316316 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
P-31226452 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-856041338 | LaboTest | Building Blocks | 90 | As is | unavailable |
P-613284190 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-580472431 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852505481 | Matrix Scientific | All | N/A | As is | in stock |
P-428011888 | Maybridge | Screening Collection | 95 | As is | 9.182 kg |
P-620222725 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
P-12633694 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
P-502329741 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611529117 | Toronto Research | In stock | 90 | As is | in stock |
P-611529376 | Toronto Research | In stock | 90 | As is | in stock |
P-611388835 | Toronto Research | In stock | 90 | As is | in stock |
P-867528519 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 98.100 |
logP | 0.7719 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 33.37 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 24.8358 |
Atoms | 13 |
Rings | 1 |
Heavy atoms | 7 |
Hydrogen atoms | 6 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |