MCULE-6234012831
- 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 | 51 USD | 90 | 19 working days | Get Quote |
5 mg | 105 USD | 95 | 10 working days | Get Quote |
10 mg | 143 USD | 95 | 10 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-6234012831.sdf |
SMILES | MCULE-6234012831.smiles |
Standard InChI | MCULE-6234012831.inchi |
InChIKey | MCULE-6234012831.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852078572 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-901187338 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-615710326 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851428666 | AmBeed | On request | N/A | As is | by synthesis |
P-489206214 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-590739552 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-188405 | Chemical Block | Screening Library | 90 | As is | 4 mg |
P-34691073 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580304114 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-454402887 | Key Organics | Building Blocks | 95 | As is | 6.278 g |
P-18792598 | Key Organics | Screening Compounds and Fragments | 95 | As is | 6.278 g |
P-852412531 | Matrix Scientific | All | N/A | As is | in stock |
P-895610240 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-500396059 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
P-24040484 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33505294 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502406335 | TimTec | Building Block Collection | 90 | As is | in stock |
P-1812194 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 242.298 |
logP | 3.1837 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 62.61 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 68.8585 |
Atoms | 27 |
Rings | 3 |
Heavy atoms | 17 |
Hydrogen atoms | 10 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |