MCULE-3772637031
- 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 | 87 USD | 95 | 20 working days | Get Quote |
5 mg | 87 USD | 95 | 20 working days | Get Quote |
10 mg | 87 USD | 95 | 20 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.
Name | File |
---|---|
SDF | MCULE-3772637031.sdf |
SMILES | MCULE-3772637031.smiles |
Standard InChI | MCULE-3772637031.inchi |
InChIKey | MCULE-3772637031.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860634517 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-901257444 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-904597267 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-903049126 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 9 g |
P-893586828 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 9 g |
P-851890506 | AmBeed | On request | N/A | As is | by synthesis |
P-873290440 | Angene | Building Blocks in stock | 95 | As is | 9 g |
P-869481794 | Asinex | General screening catalog | 90 | As is | 3 mg |
P-889588787 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-591061288 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492253522 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-872748399 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-861975225 | FluoroChem | General BB | N/A | As is | in stock |
P-31143723 | LaboTest | Screening Collection | 90 | As is | 500 mg |
P-895390725 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611610942 | Toronto Research | In stock | 90 | As is | in stock |
P-588802565 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
P-886902437 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 229.238 |
logP | 2.2696 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 82.76 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 63.4984 |
Atoms | 28 |
Rings | 3 |
Heavy atoms | 17 |
Hydrogen atoms | 11 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |