MCULE-2861972161
- 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.
Name | File |
---|---|
SDF | MCULE-2861972161.sdf |
SMILES | MCULE-2861972161.smiles |
Standard InChI | MCULE-2861972161.inchi |
InChIKey | MCULE-2861972161.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867625586 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875788513 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-903138674 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 75 g |
P-893546170 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 353.13 g |
P-606917760 | AmBeed | In stock | N/A | As is | in stock |
P-596965338 | Angene | Building Blocks in stock | 95 | As is | 60 g |
P-585263700 | Apollo Scientific | In Stock | 95 | As is | 158.75 g |
P-864168290 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580719211 | BLD pharm | In-stock building blocks | 95 | As is | 1.35 g |
P-619929691 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-505595580 | Chemcia | Stock compounds | 95 | As is | in stock |
P-870586376 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-889282466 | FluoroChem | General BB | N/A | As is | in stock |
P-596565858 | Key Organics | Building Blocks | 95 | As is | 250 mg |
P-855994605 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
P-856077853 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-854749004 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-888879603 | PharmaBlock | In stock | N/A | As is | in stock |
P-19823724 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-596745418 | Synthonix | In-stock Building Blocks | 95 | As is | 185.42 g |
P-611347198 | Toronto Research | In stock | 90 | As is | in stock |
P-25580601 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.346 g |
P-615414039 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 217.016 |
logP | 1.8529 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 57.53 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 43.1243 |
Atoms | 16 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 5 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |