MCULE-6144897351
- 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 | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 62 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-6144897351.sdf |
SMILES | MCULE-6144897351.smiles |
Standard InChI | MCULE-6144897351.inchi |
InChIKey | MCULE-6144897351.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886577477 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889911676 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869295828 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-580209390 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-454761771 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-619342591 | ChemDiv | Discovery Chemistry Library | 90 | As is | 3 mg |
P-861388793 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34578837 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-861298304 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580769781 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580780713 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-492221161 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502771116 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-563668329 | Key Organics | Building Blocks | 95 | As is | 50 mg |
P-580461145 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
P-852597813 | Matrix Scientific | All | N/A | As is | in stock |
P-854843765 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-492286686 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.5 g |
P-424394616 | Otava | In-House Stock Library | 90 | As is | 1.5 g |
P-18847051 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-596796543 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33468462 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502346004 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611590116 | Toronto Research | In stock | 90 | As is | in stock |
P-1141685 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.06 g |
P-596526589 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.06 g |
P-893864491 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 194.226 |
logP | 2.2386 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 54.0928 |
Atoms | 28 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |