MCULE-9929333197
- 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 | 10 USD | 98 | 14 working days | Get Quote |
5 mg | 10 USD | 98 | 14 working days | Get Quote |
10 mg | 10 USD | 98 | 14 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-8755205972
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-9929333197.sdf |
SMILES | MCULE-9929333197.smiles |
Standard InChI | MCULE-9929333197.inchi |
InChIKey | MCULE-9929333197.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867575909 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875735991 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-588246642 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-903065688 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 20 g |
P-856052485 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-596930857 | Angene | Building Blocks in stock | 98 | As is | 6 g |
P-864202811 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-577156056 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-868615786 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-505492488 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-855982702 | Key Organics | Building Blocks | 97 | As is | 5 g |
P-856043750 | LaboTest | Building Blocks | 90 | As is | 2 g |
P-31161332 | LaboTest | Screening Collection | 90 | As is | 2 g |
P-895282255 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-885539841 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-19784412 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502365366 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855354464 | Toronto Research | In stock | 90 | As is | in stock |
P-3122255 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 343 mg |
P-666976079 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 198.133 |
logP | 2.5634 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 111.87 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 51.075 |
Atoms | 20 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 6 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |