MCULE-3522023799-0
- 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 | 12 USD | N/A | 9 working days | Get Quote |
5 mg | 12 USD | N/A | 9 working days | Get Quote |
10 mg | 12 USD | N/A | 9 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-4121190274-0
- Component type: Main
-
MCULE-7141592859-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3522023799-0.sdf |
SMILES | MCULE-3522023799-0.smiles |
Standard InChI | MCULE-3522023799-0.inchi |
InChIKey | MCULE-3522023799-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-597015117 | AEchem | Building blocks | 95 | As is | in stock |
P-595218626 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893515354 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 55.175 g |
P-620804026 | Alinda | Building Blocks | 95 | As is | 5 g |
P-617067936 | Allbio Pharm | In stock | N/A | As is | in stock |
P-606940271 | AmBeed | In stock | N/A | As is | in stock |
P-589656590 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864104927 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-674290880 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-851251119 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861280338 | Chiralstar | Chiralstar Building Blocks | 97 | As is | in stock |
P-868591429 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-580335649 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861985110 | FluoroChem | General BB | 95 | As is | in stock |
P-563386529 | Key Organics | Building Blocks | 95 | As is | 250 mg |
P-852441150 | Matrix Scientific | All | N/A | As is | in stock |
P-23784335 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-520102971 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885530028 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611361549 | Toronto Research | In stock | 90 | As is | in stock |
P-464686699 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.021 g |
P-24783337 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.021 g |
P-615451131 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-666934683 | ChemBridge | Building Block Library | 95 | As a main component | in stock |
P-889035873 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-852428982 | Matrix Scientific | All | N/A | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 191.971 |
logP | 0.2654 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 78.87 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 31.042 |
Atoms | 11 |
Rings | 1 |
Heavy atoms | 9 |
Hydrogen atoms | 2 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |