MCULE-3984367833
- 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 | 6 USD | N/A | 9 working days | Get Quote |
5 mg | 7 USD | N/A | 9 working days | Get Quote |
10 mg | 7 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-7787518139
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3984367833.sdf |
SMILES | MCULE-3984367833.smiles |
Standard InChI | MCULE-3984367833.inchi |
InChIKey | MCULE-3984367833.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867612310 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875773056 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869367806 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-881672697 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-606926487 | AmBeed | In stock | N/A | As is | in stock |
P-596963006 | Angene | Building Blocks in stock | 98 | As is | 33.845 g |
P-580193873 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864130087 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-860799793 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-675214966 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-869161881 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892296748 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888657266 | TargetMol | Screening Compounds - stock amount | 95 | As is | 179 mg |
P-851707223 | AmBeed | On request | N/A | As a main component | by synthesis |
P-864223328 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-675215017 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
P-892257508 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
P-892340765 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | unavailable |
Property | Value |
---|---|
Components | 1 |
Mass | 405.351 |
logP | 1.2915 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 100.87 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 99.6697 |
Atoms | 46 |
Rings | 4 |
Heavy atoms | 29 |
Hydrogen atoms | 17 |
Heteroatoms | 10 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 2 |
R/S chiral centers | 2 |
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 |