MCULE-4254026596-1
- 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 | 11 USD | 98 | 8 working days | Get Quote |
5 mg | 11 USD | 98 | 8 working days | Get Quote |
10 mg | 11 USD | 98 | 8 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-6542091713-0
- Component type: Main
-
MCULE-5534010285-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4254026596-1.sdf |
SMILES | MCULE-4254026596-1.smiles |
Standard InChI | MCULE-4254026596-1.inchi |
InChIKey | MCULE-4254026596-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867469326 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-875725034 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-869184605 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-616208402 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-616209360 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-903054513 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As a main component | 22.5 kg |
P-851938910 | AmBeed | In stock | N/A | As a main component | in stock |
P-619144315 | Angene | Building Blocks in stock | 98 | As a main component | 3.5 kg |
P-895933967 | Apollo Scientific | On request | 95 | As a main component | by resynthesis (? - ? days) |
P-864206369 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-616203223 | BLD pharm | In-stock building blocks | 98 | As a main component | 730 g |
P-616193038 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-868615133 | Combi-Blocks | Building Block in stock | 96 | As a main component | in stock |
P-901381449 | FluoroChem | In Stock BB | N/A | As a main component | 500 g |
P-855912365 | Key Organics | Building Blocks | 97 | As a main component | 500 g |
P-855994799 | Key Organics | Screening Compounds and Fragments | 97 | As a main component | 100 mg |
P-856078132 | LabSeeker, Inc | Stock Collection | 98 | As a main component | in stock |
P-852463146 | Matrix Scientific | All | N/A | As a main component | in stock |
P-852464537 | Matrix Scientific | All | N/A | As a main component | in stock |
P-895687830 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-855314284 | Toronto Research | In stock | 90 | As a main component | in stock |
P-666970279 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 189.168 |
logP | 1.0827 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 106.04 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 38.4954 |
Atoms | 17 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 5 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |