MCULE-9718436415-0
- 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 | 39 USD | 90 | 17 working days | Get Quote |
5 mg | 39 USD | 90 | 17 working days | Get Quote |
10 mg | 46 USD | 90 | 17 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-9718436415-0.sdf |
SMILES | MCULE-9718436415-0.smiles |
Standard InChI | MCULE-9718436415-0.inchi |
InChIKey | MCULE-9718436415-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
---|---|---|---|---|---|---|
P-852099490 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis | March 22 |
P-590359423 | AK Scientific | Building Blocks | 95 | As is | in stock | November 4, 2019 |
P-580215244 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis | April 8, 2017 |
P-19986813 | Alinda | Stock Screening Compounds | 90 | As is | in stock | December 15, 2012 |
P-436448249 | Alinda | Building Blocks | 95 | As is | in stock | March 29, 2017 |
P-851818085 | AmBeed | On request | N/A | As is | by synthesis | April 1, 2022 |
P-590973557 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis | May 4 |
P-454697042 | ChemDiv | Building Blocks in stock | 90 | As is | unavailable | January 17 |
P-861532413 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis | April 2, 2022 |
P-34738375 | Crea-Chim | HTS compounds | 90 | As is | in stock | August 1, 2014 |
P-580423800 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) | May 31, 2018 |
P-862062088 | FluoroChem | All BB | N/A | As is | in stock | May 5, 2022 |
P-590342541 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock | November 27, 2022 |
P-590292709 | HTS Biochemie Innovationen GmbH | Building Blocks - small amounts | 90 | As is | 6 g | January 31, 2020 |
P-855970605 | Key Organics | Building Blocks | 95 | As is | 1000 mg | May 30 |
P-852398418 | Matrix Scientific | All | N/A | As is | in stock | February 18, 2022 |
P-854917808 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis | June 6, 2022 |
P-34149159 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock | April 1, 2014 |
P-502328920 | TimTec | Building Block Collection | 90 | As is | in stock | February 1, 2015 |
P-22495339 | TimTec | ActiMol 1 Week | 90 | As is | 500 mg | May 18 |
P-611596386 | Toronto Research | In stock | 90 | As is | in stock | June 25, 2020 |
Property | Value |
---|---|
Components | 1 |
Mass | 205.038 |
logP | 1.9853 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 41.99 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 48.3557 |
Atoms | 18 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 6 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |