MCULE-2602222760
- 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 | 67 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.
-
MCULE-7809293254
- Component type: Main
-
MCULE-5796972659
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2602222760.sdf |
SMILES | MCULE-2602222760.smiles |
Standard InChI | MCULE-2602222760.inchi |
InChIKey | MCULE-2602222760.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875706611 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-492253829 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-861375600 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862039932 | FluoroChem | General BB | N/A | As is | in stock |
P-855946393 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-19490472 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-611587000 | Toronto Research | In stock | 90 | As is | in stock |
P-1125300 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 149 mg |
P-893679064 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-886684378 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-875849272 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-869366595 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-889801341 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-861389641 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-596593140 | Key Organics | Building Blocks | 90 | As a main component | 500 mg |
P-852393031 | Matrix Scientific | All | N/A | As a main component | in stock |
P-885527875 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-424823823 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-502385141 | TimTec | Building Block Collection | 90 | As a main component | in stock |
P-611394435 | Toronto Research | In stock | 90 | As a main component | in stock |
P-464680194 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As a main component | 3.341 g |
P-1125452 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 3.341 g |
P-893830315 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 189.296 |
logP | 3.1522 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 12.03 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 60.9377 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 19 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |