MCULE-8782846784
- 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 | 36 USD | 92 | 15 working days | Get Quote |
5 mg | 55 USD | 90 | 19 working days | Get Quote |
10 mg | 69 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.
Name | File |
---|---|
SDF | MCULE-8782846784.sdf |
SMILES | MCULE-8782846784.smiles |
Standard InChI | MCULE-8782846784.inchi |
InChIKey | MCULE-8782846784.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867643716 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875810287 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869198708 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851532298 | AmBeed | On request | N/A | As is | by synthesis |
P-590857957 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-454690265 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-4532898 | ChemDiv | Discovery Chemistry Library | 90 | As is | 50 mg |
P-34795539 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580764495 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580775007 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-861930926 | FluoroChem | General BB | N/A | As is | in stock |
P-502471756 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-12897657 | InterBioScreen | Screening Compounds | 92 | As is | 237 mg |
P-580489898 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
P-852605444 | Matrix Scientific | All | N/A | As is | in stock |
P-854859943 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-500393636 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-856063648 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 16 g |
P-18845036 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-902753191 | Specs | Natural Products | 80 | As is | 14 mg |
P-454035317 | Specs | Screening Compounds | 90 | As is | 14 mg |
P-502341591 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22471610 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 28 mg |
P-855230637 | Toronto Research | In stock | 90 | As is | in stock |
P-1013121 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.053 g |
P-596528158 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.053 g |
P-893676507 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 274.311 |
logP | 3.8543 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 59.67 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 75.9163 |
Atoms | 38 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 18 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |