MCULE-9429552928-0
- 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 | 34 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-9429552928-0.sdf |
SMILES | MCULE-9429552928-0.smiles |
Standard InChI | MCULE-9429552928-0.inchi |
InChIKey | MCULE-9429552928-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867428499 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596482016 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-595588137 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-4745302 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-454681728 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-584580120 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
P-436442033 | Chemical Block | Building Blocks | 90 | As is | 9 g |
P-289254 | Chemical Block | Screening Library | 90 | As is | 923 mg |
P-34714642 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580787108 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
P-502504472 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-12485427 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-852380150 | Matrix Scientific | All | N/A | As is | in stock |
P-864018839 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23856103 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491225342 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33443560 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502336669 | TimTec | Building Block Collection | 90 | As is | in stock |
P-1935047 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 68 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 235.303 |
logP | 1.344 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 91.85 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 56.8005 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 17 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |