MCULE-3090347898-0
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-1423249995-0
- Component type: Main
-
MCULE-7309652345-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3090347898-0.sdf |
SMILES | MCULE-3090347898-0.smiles |
Standard InChI | MCULE-3090347898-0.inchi |
InChIKey | MCULE-3090347898-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-489193270 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-855955004 | Key Organics | Building Blocks | 97 | As is | 250 mg |
P-31251997 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-596797097 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-23112407 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-892867949 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-889940224 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-869209454 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-617325119 | Alinda | Stock Screening Compounds | 90 | As a main component | in stock |
P-851453693 | AmBeed | On request | N/A | As a main component | by synthesis |
P-590765917 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-617654081 | ChemDiv | Building Blocks on demand | 90 | As a main component | by synthesis |
P-868595861 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
P-855940664 | Key Organics | Building Blocks | 95 | As a main component | 100 mg |
P-854831148 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-675117829 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-873229229 | TimTec | Building Block Collection | 90 | As a main component | in stock |
P-611392422 | Toronto Research | In stock | 90 | As a main component | in stock |
P-617779366 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 10 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 176.258 |
logP | 2.2523 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 24.06 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 59.5784 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 16 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |