MCULE-7485966009
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 63 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-7485966009.sdf |
SMILES | MCULE-7485966009.smiles |
Standard InChI | MCULE-7485966009.inchi |
InChIKey | MCULE-7485966009.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867422216 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-899946615 | AmBeed | On request | N/A | As is | by synthesis |
P-864271615 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-454684693 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-15147592 | ChemDiv | Discovery Chemistry Library | 90 | As is | 12 mg |
P-436443206 | Chemical Block | Building Blocks | 90 | As is | 20 g |
P-313853 | Chemical Block | Screening Library | 90 | As is | 907 mg |
P-34721635 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580787782 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-895388133 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-24061225 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491225702 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-22618722 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502337310 | TimTec | Building Block Collection | 90 | As is | in stock |
P-2140600 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 120 mg |
P-886941260 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 248.191 |
logP | 1.955 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 104.98 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 63.4072 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 8 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |