MCULE-8709667539
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 62 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-8709667539.sdf |
SMILES | MCULE-8709667539.smiles |
Standard InChI | MCULE-8709667539.inchi |
InChIKey | MCULE-8709667539.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-889925558 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-590357999 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436452879 | Alinda | Building Blocks | 95 | As is | in stock |
P-851797037 | AmBeed | On request | N/A | As is | by synthesis |
P-872697279 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-591108802 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-454630729 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-868634247 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-862063484 | FluoroChem | General BB | N/A | As is | in stock |
P-503147779 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-502673769 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492219250 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-12547054 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-855971781 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852406810 | Matrix Scientific | All | N/A | As is | in stock |
P-854832724 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-18962860 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-23321734 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-502353991 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855354525 | Toronto Research | In stock | 90 | As is | in stock |
P-578088 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 331 mg |
P-3243349 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 331 mg |
P-893876873 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-893738222 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 233.219 |
logP | 1.0837 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 74.68 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 62.9138 |
Atoms | 28 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 11 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |