MCULE-4345291438
- 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 | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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-7700043956
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4345291438.sdf |
SMILES | MCULE-4345291438.smiles |
Standard InChI | MCULE-4345291438.inchi |
InChIKey | MCULE-4345291438.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852103554 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889931494 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-851559019 | AmBeed | On request | N/A | As is | by synthesis |
P-864217964 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-606958277 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-579523131 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1.25 g |
P-890211941 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-524175463 | Key Organics | Building Blocks | 95 | As is | unavailable |
P-854885965 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23969879 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-855360254 | Toronto Research | In stock | 90 | As is | in stock |
P-2376746 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 30 mg |
P-875803038 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-590363032 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-613851931 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-864092838 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-617650875 | ChemDiv | Building Blocks in stock | 90 | As a main component | in stock |
P-861550288 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-862024019 | FluoroChem | General BB | 95 | As a main component | in stock |
P-24481972 | InterBioScreen | Natural Compounds | 92 | As a main component | 79 mg |
P-563546600 | Key Organics | Building Blocks | 95 | As a main component | 1000 mg |
P-852428937 | Matrix Scientific | All | N/A | As a main component | in stock |
P-854809840 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-445352225 | Pharmeks LLC | Natural & unique compounds | 92 | As a main component | 79 mg |
P-611601238 | Toronto Research | In stock | 90 | As a main component | in stock |
P-893664625 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 176.215 |
logP | 1.9094 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 55.12 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 54.0561 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 12 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |