MCULE-3804938653
- 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 | 179 USD | 90 | 30 working days | Get Quote |
5 mg | 230 USD | 90 | 30 working days | Get Quote |
10 mg | 281 USD | 90 | 30 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.
-
MCULE-9263905959
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3804938653.sdf |
SMILES | MCULE-3804938653.smiles |
Standard InChI | MCULE-3804938653.inchi |
InChIKey | MCULE-3804938653.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886673098 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-869230665 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-901435591 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-579522706 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1 mg |
P-890211529 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-492229647 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-524175150 | Key Organics | Building Blocks | 95 | As is | unavailable |
P-872786721 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-856067303 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1000 mg |
P-33985376 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-502388990 | TimTec | Building Block Collection | 90 | As is | in stock |
P-893723800 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-885943378 | A2B Chem | Predominantly Building Block on demand | 95 | As a main component | by synthesis |
P-874627063 | AK Scientific | Building Blocks | 97 | As a main component | in stock |
P-500256130 | Diverchim | Diverchim General Catalog | N/A | As a main component | in stock |
P-854899099 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 151.205 |
logP | 2.0331 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 35.25 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 44.8144 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 13 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |