MCULE-3473175373
- 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-3473175373.sdf |
SMILES | MCULE-3473175373.smiles |
Standard InChI | MCULE-3473175373.inchi |
InChIKey | MCULE-3473175373.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-889961258 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-894647101 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-899940710 | AmBeed | On request | N/A | As is | by synthesis |
P-3415574 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
P-868624725 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-502874505 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-855944456 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
P-854830778 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-18875516 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33958837 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-825336 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 229 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 284.334 |
logP | 3.6197 |
H-bond acceptors | 6 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 91.58 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 77.249 |
Atoms | 35 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 16 |
Heteroatoms | 7 |
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 |