MCULE-6486106114
- 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-6486106114.sdf |
SMILES | MCULE-6486106114.smiles |
Standard InChI | MCULE-6486106114.inchi |
InChIKey | MCULE-6486106114.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867416296 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894654850 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851909757 | AmBeed | On request | N/A | As is | by synthesis |
P-611144956 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-504735131 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-607763308 | ChemDiv | Discovery Chemistry Library | 90 | As is | 12 mg |
P-34526038 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580766432 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580777112 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-854911856 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23869505 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491129303 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33466253 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502343069 | TimTec | Building Block Collection | 90 | As is | in stock |
P-596527051 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.055 g |
P-1176318 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.055 g |
Property | Value |
---|---|
Components | 1 |
Mass | 262.261 |
logP | 2.5619 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 86.72 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 67.0756 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 14 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |