MCULE-1344739981
- 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 | 35 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-1344739981.sdf |
SMILES | MCULE-1344739981.smiles |
Standard InChI | MCULE-1344739981.inchi |
InChIKey | MCULE-1344739981.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-901311415 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-870152272 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893568089 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 8 g |
P-900253142 | Angene | Building Blocks in stock | 95 | As is | 1000 mg |
P-869406540 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-4474441 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-577204353 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
P-887210994 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34770641 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-503890885 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-895638849 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-655249857 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-18945353 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22451301 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 178 mg |
P-509247 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 78 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 262.304 |
logP | 3.8798 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 74.92 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 75.1472 |
Atoms | 37 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 18 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |