MCULE-7391942405-0
- 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 | 163 USD | 96 | 12 working days | Get Quote |
5 mg | 163 USD | 96 | 12 working days | Get Quote |
10 mg | 163 USD | 96 | 12 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-9020874130-0
- Component type: Main
-
MCULE-7708700812-0
- Component type: Main
-
MCULE-6408981105-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7391942405-0.sdf |
SMILES | MCULE-7391942405-0.smiles |
Standard InChI | MCULE-7391942405-0.inchi |
InChIKey | MCULE-7391942405-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852106438 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-875811814 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-853425222 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893613772 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 11.1 g |
P-851391892 | AmBeed | On request | N/A | As is | by synthesis |
P-590715343 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-851288626 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-500155026 | J&W Pharmlab | In-stock compounds | 96 | As is | in stock |
P-579636928 | LabSeeker, Inc | On demand Catalog | 97 | As is | by resynthesis (? - ? days) |
P-864074965 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-667010506 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-615725758 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-866100671 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As a main component | unavailable |
P-851837195 | AmBeed | On request | N/A | As a main component | by synthesis |
P-590987799 | BLD pharm | Non-stock building blocks | 96 | As a main component | by synthesis |
P-851288625 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
P-861274174 | Chiralstar | Chiralstar Building Blocks | 95 | As a main component | in stock |
P-500155027 | J&W Pharmlab | In-stock compounds | 96 | As a main component | in stock |
P-454316739 | Key Organics | Screening Compounds and Fragments | 90 | As a main component | unavailable |
P-873389633 | LabSeeker, Inc | On demand Catalog | 95 | As a main component | by resynthesis (? - ? days) |
P-852453152 | Matrix Scientific | All | N/A | As a main component | in stock |
P-854938897 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-33409179 | TimTec | ActiMol 2 Week | 90 | As a main component | in stock |
P-611572450 | Toronto Research | In stock | 90 | As a main component | in stock |
P-615462576 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 165.192 |
logP | 1.8736 |
H-bond acceptors | 4 |
H-bond donors | 3 |
Rotatable bonds | 3 |
PSA | 71.13 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 48.5378 |
Atoms | 23 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 11 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |