MCULE-4012706939
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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-4012706939.sdf |
SMILES | MCULE-4012706939.smiles |
Standard InChI | MCULE-4012706939.inchi |
InChIKey | MCULE-4012706939.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867592843 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875751130 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590357414 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851811440 | AmBeed | On request | N/A | As is | by synthesis |
P-596515980 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-596433855 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-591098281 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492271000 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-454682394 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-15145975 | ChemDiv | Discovery Chemistry Library | 90 | As is | 3 mg |
P-436442291 | Chemical Block | Building Blocks | 90 | As is | 9 g |
P-308201 | Chemical Block | Screening Library | 90 | As is | 937 mg |
P-861367978 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34719940 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580787313 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
P-861973846 | FluoroChem | General BB | 95 | As is | in stock |
P-855946706 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852387905 | Matrix Scientific | All | N/A | As is | in stock |
P-854921135 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-24060294 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491225474 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33449702 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502335316 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855221050 | Toronto Research | In stock | 90 | As is | in stock |
P-1822465 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 55 mg |
P-893664484 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 248.687 |
logP | 1.1089 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 96.53 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 57.0877 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 9 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |