MCULE-8085103777
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-8085103777.sdf |
SMILES | MCULE-8085103777.smiles |
Standard InChI | MCULE-8085103777.inchi |
InChIKey | MCULE-8085103777.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886644800 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890165162 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-436448117 | Alinda | Building Blocks | 95 | As is | 15 g |
P-19941869 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851740218 | AmBeed | On request | N/A | As is | by synthesis |
P-889802191 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-504680787 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-454696790 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861528436 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34630062 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-862062058 | FluoroChem | General BB | N/A | As is | in stock |
P-596591869 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-852398297 | Matrix Scientific | All | N/A | As is | in stock |
P-885518137 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-23959971 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22769995 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-873218771 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888534205 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611577314 | Toronto Research | In stock | 90 | As is | in stock |
P-25623576 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.483 g |
P-3237934 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.483 g |
P-893823999 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 175.680 |
logP | 3.5116 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 54.26 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 46.6164 |
Atoms | 20 |
Rings | 1 |
Heavy atoms | 10 |
Hydrogen atoms | 10 |
Heteroatoms | 3 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |