MCULE-1840882522
- 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 | 16 working days | Get Quote |
5 mg | 7 USD | 98 | 16 working days | Get Quote |
10 mg | 7 USD | 98 | 16 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- 1-Click Scaffold Hop Find novel active ligands structurally different from the ligand.
- 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-1840882522.sdf |
SMILES | MCULE-1840882522.smiles |
Standard InChI | MCULE-1840882522.inchi |
InChIKey | MCULE-1840882522.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
---|---|---|---|---|---|---|
P-867661278 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock | March 22 |
P-875829945 | AA Blocks | AA Blocks | N/A | As is | in stock | June 9 |
P-505392280 | AK Scientific | Building Blocks | 97 | As is | in stock | July 13, 2018 |
P-869183476 | AK Scientific | Building Blocks | 95 | As is | in stock | December 6, 2022 |
P-517098304 | Alinda | Stock Screening Compounds | 90 | As is | in stock | December 27, 2017 |
P-606833251 | AmBeed | In stock | N/A | As is | in stock | April 7, 2020 |
P-596972596 | Angene | Building Blocks in stock | 98 | As is | 150 g | September 23 |
P-580193643 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock | July 7, 2017 |
P-597037431 | Bosche Scientific | Bosche Products | 98 | As is | in stock | January 22, 2020 |
P-851268173 | Chemshuttle | On request catalog | N/A | As is | by synthesis | January 16 |
P-868595095 | Combi-Blocks | Building Block in stock | 98 | As is | in stock | October 7, 2022 |
P-608494732 | DC Chemicals Limited | Stock Products | 95 | As is | in stock | June 16, 2020 |
P-580433623 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) | May 31, 2018 |
P-500417185 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock | June 11, 2022 |
P-505516173 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock | June 30, 2017 |
P-524444077 | Key Organics | Biochemicals | 97 | As is | 4.877 g | Thursday |
P-856012184 | LaboTest | Screening Collection | 90 | As is | in stock | September 1, 2021 |
P-854721940 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock | June 6, 2022 |
P-474021843 | MedKoo | In stock compounds | 95 | As is | in stock | August 8, 2017 |
P-608275951 | Molnova | Stock | 98 | As is | in stock | May 7, 2020 |
P-500410177 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis | August 8, 2017 |
P-579710366 | Selleckchem | Product Catalog | N/A | As is | in stock | June 16, 2020 |
P-464626505 | TargetMol | Screening Compounds | 95 | As is | 7.819 g | March 1 |
P-611490452 | Toronto Research | In stock | 90 | As is | in stock | June 25, 2020 |
Property | Value |
---|---|
Components | 1 |
Mass | 246.307 |
logP | 1.8806 |
H-bond acceptors | 6 |
H-bond donors | 0 |
Rotatable bonds | 7 |
PSA | 103.5 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 51.054 |
Atoms | 28 |
Rings | 0 |
Heavy atoms | 14 |
Hydrogen atoms | 14 |
Heteroatoms | 8 |
N/O atoms | 6 |
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 |