MCULE-7161088842
- 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 | 85 USD | 95 | 15 working days | Get Quote |
5 mg | 85 USD | 95 | 15 working days | Get Quote |
10 mg | 85 USD | 95 | 15 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-7202817063
- Component type: Main
-
MCULE-7613625130
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7161088842.sdf |
SMILES | MCULE-7161088842.smiles |
Standard InChI | MCULE-7161088842.inchi |
InChIKey | MCULE-7161088842.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886575339 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-867458302 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-890148789 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-892790766 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-903096295 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 25 g |
P-904314679 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 25 g |
P-878261167 | AmBeed | In stock | N/A | As is | in stock |
P-881095745 | Angene | Building Blocks in stock | 95 | As is | 25 g |
P-596492820 | Asinex | General bb catalog | 90 | As is | unavailable |
P-889790436 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-878234856 | BLD pharm | In-stock building blocks | 95 | As is | 23.86 g |
P-901531087 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-887323016 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-502550818 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-895537051 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-856979859 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-519969647 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502390393 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855232368 | Toronto Research | In stock | 90 | As is | in stock |
P-480390562 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-886839110 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-901248596 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-903446889 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As a main component | 1000 mg |
P-851802268 | AmBeed | On request | N/A | As a main component | by synthesis |
P-892488726 | Asinex | General screening catalog | 90 | As a main component | 1000 mg |
P-591131734 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-852380967 | Matrix Scientific | All | N/A | As a main component | in stock |
P-903639034 | TimTec | ActiMol 4 Week - On demand | 94 | As a main component | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 280.363 |
logP | 2.517 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 32.34 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 91.5437 |
Atoms | 41 |
Rings | 3 |
Heavy atoms | 21 |
Hydrogen atoms | 20 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |