MCULE-4188022429
- 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 | 17 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-4188022429.sdf |
SMILES | MCULE-4188022429.smiles |
Standard InChI | MCULE-4188022429.inchi |
InChIKey | MCULE-4188022429.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852116269 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889940882 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-436474485 | Alinda | Building Blocks | 95 | As is | in stock |
P-34888354 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-454683531 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-15148281 | ChemDiv | Discovery Chemistry Library | 90 | As is | 11 mg |
P-436442703 | Chemical Block | Building Blocks | 90 | As is | 6 g |
P-316118 | Chemical Block | Screening Library | 90 | As is | 268 mg |
P-861522067 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34722336 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-502564740 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-596586548 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-852534322 | Matrix Scientific | All | N/A | As is | in stock |
P-35159089 | Maybridge | Screening Collection | 90 | As is | 14.653 kg |
P-491121500 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-19585331 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33484759 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502340608 | TimTec | Building Block Collection | 90 | As is | in stock |
P-875270266 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 5 mg |
P-855326198 | Toronto Research | In stock | 90 | As is | in stock |
P-1575683 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.04 g |
Property | Value |
---|---|
Components | 1 |
Mass | 300.352 |
logP | 3.2306 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 73.58 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 86.1206 |
Atoms | 42 |
Rings | 2 |
Heavy atoms | 22 |
Hydrogen atoms | 20 |
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 |