MCULE-2738117744-0
- 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 | 105 USD | 90 | 9 working days | Get Quote |
5 mg | 105 USD | 90 | 9 working days | Get Quote |
10 mg | 192 USD | 90 | 18 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-2738117744-0.sdf |
SMILES | MCULE-2738117744-0.smiles |
Standard InChI | MCULE-2738117744-0.inchi |
InChIKey | MCULE-2738117744-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886299434 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596498119 | Asinex | General bb catalog | 90 | As is | 41 mg |
P-596459603 | Asinex | General screening catalog | 90 | As is | 41 mg |
P-504736948 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 90 | As is | 5 mg |
P-502722027 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-14314459 | Life Chemicals | Screening Compounds | 90 | As is | 209 mg |
P-896580451 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-621457215 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-23327413 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-873072647 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 257.283 |
logP | 2.2143 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 71.62 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 60.6672 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 12 |
Heteroatoms | 6 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |