MCULE-6797579711
- 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 | 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-6797579711.sdf |
SMILES | MCULE-6797579711.smiles |
Standard InChI | MCULE-6797579711.inchi |
InChIKey | MCULE-6797579711.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-674979176 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889917391 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-612936272 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893444448 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 10.979 g |
P-851575455 | AmBeed | On request | N/A | As is | by synthesis |
P-595588623 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-596482348 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-889850982 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590816177 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-7221115 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
P-448728310 | ChemDiv | Discovery Chemistry Library | 90 | As is | 28 mg |
P-861948024 | FluoroChem | General BB | N/A | As is | in stock |
P-13627506 | InterBioScreen | Screening Compounds | 92 | As is | 224 mg |
P-852384260 | Matrix Scientific | All | N/A | As is | in stock |
P-895225780 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-13732104 | Pharmeks LLC | Synthetic compounds | 92 | As is | 224 mg |
P-19136413 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-12946779 | Specs | Screening Compounds | 90 | As is | 159 mg |
P-33531120 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-1812230 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 59 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 228.246 |
logP | 2.4649 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 62.22 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 64.989 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |