MCULE-3713103022
- 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 | 6 USD | 98 | 9 working days | Get Quote |
5 mg | 6 USD | 98 | 9 working days | Get Quote |
10 mg | 6 USD | 98 | 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.
Name | File |
---|---|
SDF | MCULE-3713103022.sdf |
SMILES | MCULE-3713103022.smiles |
Standard InChI | MCULE-3713103022.inchi |
InChIKey | MCULE-3713103022.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867540855 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875697378 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869189495 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-579761297 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-578381077 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-19846592 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-606936237 | AmBeed | In stock | N/A | As is | in stock |
P-489139462 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596938052 | Angene | Building Blocks in stock | 99 | As is | 20 kg |
P-494336694 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864210668 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580698496 | BLD pharm | In-stock building blocks | 98 | As is | 1.9 kg |
P-10620320 | ChemDiv | Discovery Chemistry Library | 90 | As is | 66 mg |
P-868611176 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580443158 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862031996 | FluoroChem | General BB | N/A | As is | in stock |
P-524194496 | Key Organics | Building Blocks | 95 | As is | 1000 g |
P-855996972 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
P-31138837 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-856044848 | LaboTest | Building Blocks | 90 | As is | unavailable |
P-428001671 | Maybridge | Screening Collection | 95 | As is | 3.902 kg |
P-863721046 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-584618081 | MedKoo | In stock compounds | 95 | As is | in stock |
P-19476643 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885546010 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-23352131 | Specs | Screening Compounds | 90 | As is | 59.203 g |
P-502364862 | TimTec | Building Block Collection | 90 | As is | in stock |
P-23192278 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-666976066 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 218.273 |
logP | 3.6002 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 42.52 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 58.38 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 10 |
Heteroatoms | 3 |
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 |