MCULE-2912795332
- 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 | 33 USD | 90 | 23 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 USD | 90 | 19 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-2912795332.sdf |
SMILES | MCULE-2912795332.smiles |
Standard InChI | MCULE-2912795332.inchi |
InChIKey | MCULE-2912795332.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886731608 | A2B Chem | Predominantly Building Block in stock | 92 | As is | in stock |
P-869248861 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-577167902 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-861397739 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-864497285 | Eximed | In-stock screening compounds | 90 | As is | 3.95 g |
P-428631854 | Eximed | In-stock screening compounds | 90 | As is | 1.295 g |
P-516920791 | Eximed | Building Block Catalog | 95 | As is | 1.295 g |
P-864497262 | Eximed | In-stock screening compounds | 90 | As is | 4.96 g |
P-889340549 | FluoroChem | General BB | N/A | As is | in stock |
P-580006005 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-580042296 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-503472724 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-488551761 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13678184 | InterBioScreen | Screening Compounds | 92 | As is | 226 mg |
P-596595352 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-854872882 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-34009474 | Otava | In-House Stock Library | 90 | As is | 1.295 g |
P-620218349 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 1.295 g |
P-454369618 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-445313783 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-856063442 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1.295 g |
P-424944780 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-464685313 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.059 g |
P-2760449 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.059 g |
Property | Value |
---|---|
Components | 1 |
Mass | 219.236 |
logP | 1.4451 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 57.61 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 62.4923 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 13 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |