MCULE-7156684879
- 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 | 18 USD | 90 | 14 working days | Get Quote |
5 mg | 27 USD | 90 | 14 working days | Get Quote |
10 mg | 37 USD | 90 | 14 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-7156684879.sdf |
SMILES | MCULE-7156684879.smiles |
Standard InChI | MCULE-7156684879.inchi |
InChIKey | MCULE-7156684879.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867318123 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-893260379 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-577181390 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-870130112 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
P-580089648 | Eximed | Building Block Catalog | 95 | As is | 11.99 g |
P-579804478 | Eximed | In-stock screening compounds | 90 | As is | 11.99 g |
P-870580279 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502980013 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-488544922 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-14015160 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-18818686 | Key Organics | Screening Compounds and Fragments | 90 | As is | 94 mg |
P-864045487 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-579724275 | Menai Organics | Building blocks | 90 | As is | in stock |
P-579725488 | Menai Organics | Screening compounds | 90 | As is | in stock |
P-26440065 | Otava | In-House Stock Library | 90 | As is | 11.99 g |
P-617693656 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 11.99 g |
P-454364326 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-590242299 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-856067583 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 11.99 g |
P-424851815 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502370229 | TimTec | Building Block Collection | 90 | As is | in stock |
P-3133115 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 119 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 225.245 |
logP | 2.4025 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 54.02 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 70.9549 |
Atoms | 28 |
Rings | 3 |
Heavy atoms | 17 |
Hydrogen atoms | 11 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |