MCULE-8072093613-0
- 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 | 38 USD | 90 | 19 working days | Get Quote |
5 mg | 55 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 12 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-8352631027-1
- Component type: Main
-
MCULE-7417624692-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8072093613-0.sdf |
SMILES | MCULE-8072093613-0.smiles |
Standard InChI | MCULE-8072093613-0.inchi |
InChIKey | MCULE-8072093613-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893110089 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596322856 | Asinex | General screening catalog | 90 | As is | 24 mg |
P-864241532 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-584501260 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-596586944 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-895179170 | MedChemExpress | Natural Products on demand | 95 | As is | by synthesis |
P-23888682 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885523109 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-896086448 | Specs | Natural Products | 80 | As is | 6 mg |
P-22900799 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-888380716 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-1274563 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.011 g |
P-3223892 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.011 g |
P-901418504 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
P-617653326 | ChemDiv | Building Blocks on demand | 90 | As a main component | by synthesis |
P-674290161 | ChemDiv | Building Blocks in stock | 90 | As a main component | in stock |
P-427931727 | InterBioScreen | Natural Compounds | 92 | As a main component | 233 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 355.426 |
logP | 3.411 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 40.16 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 104.941 |
Atoms | 51 |
Rings | 4 |
Heavy atoms | 26 |
Hydrogen atoms | 25 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |