MCULE-9791177422
- 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 | 5 USD | 98 | 8 working days | Get Quote |
5 mg | 5 USD | 98 | 8 working days | Get Quote |
10 mg | 5 USD | 98 | 8 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-1218815773
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9791177422.sdf |
SMILES | MCULE-9791177422.smiles |
Standard InChI | MCULE-9791177422.inchi |
InChIKey | MCULE-9791177422.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867586467 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875744797 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-535625039 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-580199613 | Aldlab Chemicals | Building Block Stock | 95 | As is | 47.609 g |
P-606948509 | AmBeed | In stock | N/A | As is | in stock |
P-596954391 | Angene | Building Blocks in stock | 97 | As is | 4.66 kg |
P-596651529 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864140655 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580709783 | BLD pharm | In-stock building blocks | 98 | As is | 1.202 kg |
P-619926686 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-851279816 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868577877 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-889117181 | FluoroChem | In Stock BB | N/A | As is | 29.7 g |
P-870646551 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-870646478 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-505537346 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-502551513 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-454407732 | Key Organics | Building Blocks | 95 | As is | 1.971 g |
P-454421208 | Key Organics | Building Blocks | 95 | As is | 25 g |
P-454331352 | Key Organics | Screening Compounds and Fragments | 95 | As is | 1.971 g |
P-31249937 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-852443975 | Matrix Scientific | All | N/A | As is | in stock |
P-854734190 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-885546664 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-873033383 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 919 mg |
P-615391833 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
P-855955798 | Key Organics | Building Blocks | 95 | As a main component | 5 g |
Property | Value |
---|---|
Components | 1 |
Mass | 137.179 |
logP | 1.379 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 46.25 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 40.0842 |
Atoms | 21 |
Rings | 1 |
Heavy atoms | 10 |
Hydrogen atoms | 11 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |