MCULE-2608682407
- 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 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 95 | 25 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-2608682407.sdf |
SMILES | MCULE-2608682407.smiles |
Standard InChI | MCULE-2608682407.inchi |
InChIKey | MCULE-2608682407.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867413361 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889953975 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-870503600 | Alinda | Building Blocks | 95 | As is | in stock |
P-596292679 | Asinex | General screening catalog | 90 | As is | 104 mg |
P-596509156 | Asinex | General bb catalog | 90 | As is | 104 mg |
P-4623764 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-619931176 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-15143568 | ChemDiv | Discovery Chemistry Library | 90 | As is | 12 mg |
P-436441334 | Chemical Block | Building Blocks | 90 | As is | unavailable |
P-299832 | Chemical Block | Screening Library | 90 | As is | 877 mg |
P-887195938 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34746358 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-889380852 | FluoroChem | General BB | N/A | As is | in stock |
P-596592819 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-864018758 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-885527691 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-18965342 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33448677 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502336181 | TimTec | Building Block Collection | 90 | As is | in stock |
P-587846 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.804 g |
P-464679420 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.804 g |
Property | Value |
---|---|
Components | 1 |
Mass | 288.269 |
logP | 3.2561 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 52.6 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 74.487 |
Atoms | 34 |
Rings | 2 |
Heavy atoms | 21 |
Hydrogen atoms | 13 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |