MCULE-3192247336-0
- 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 | 29 USD | 90 | 21 working days | Get Quote |
5 mg | 35 USD | 90 | 21 working days | Get Quote |
10 mg | 47 USD | 90 | 21 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-8119132940-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3192247336-0.sdf |
SMILES | MCULE-3192247336-0.smiles |
Standard InChI | MCULE-3192247336-0.inchi |
InChIKey | MCULE-3192247336-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886581950 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889913467 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-613850385 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851510326 | AmBeed | On request | N/A | As is | by synthesis |
P-889820290 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-893236426 | Biosynth | In Stock | 95 | As is | in stock |
P-454641942 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-871217220 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861355540 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862063870 | FluoroChem | General BB | N/A | As is | in stock |
P-890216073 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-590338508 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 12.4 g |
P-502472989 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-579675502 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-856042245 | LaboTest | Building Blocks | 90 | As is | unavailable |
P-31267876 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-852407610 | Matrix Scientific | All | N/A | As is | in stock |
P-895660720 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-859993430 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-873220227 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611451368 | Toronto Research | In stock | 90 | As is | in stock |
P-893728954 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 165.232 |
logP | 2.6344 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 35.25 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 50.2214 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 15 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |