MCULE-9464119337
- 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 | 28 USD | 92 | 18 working days | Get Quote |
5 mg | 43 USD | 92 | 18 working days | Get Quote |
10 mg | 54 USD | 92 | 18 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-9464119337.sdf |
SMILES | MCULE-9464119337.smiles |
Standard InChI | MCULE-9464119337.inchi |
InChIKey | MCULE-9464119337.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886659685 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-867416057 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-851573565 | AmBeed | On request | N/A | As is | by synthesis |
P-619302728 | ChemDiv | Discovery Chemistry Library | 90 | As is | 8 mg |
P-502637762 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492219612 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-488543827 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13939155 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-596587708 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-14183037 | Life Chemicals | Screening Compounds | 90 | As is | 56 mg |
P-617698831 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 860 mg |
P-12846025 | Otava | In-House Stock Library | 90 | As is | 860 mg |
P-454364092 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-445337386 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-856064038 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 860 mg |
P-424809993 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502354253 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22513355 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 480 mg |
P-2541531 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 138 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 268.263 |
logP | 3.017 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 55.76 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 74.3345 |
Atoms | 32 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |