MCULE-3400679348
- 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 | 48 USD | 90 | 23 working days | Get Quote |
5 mg | 78 USD | 90 | 23 working days | Get Quote |
10 mg | 93 USD | 90 | 23 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-3400679348.sdf |
SMILES | MCULE-3400679348.smiles |
Standard InChI | MCULE-3400679348.inchi |
InChIKey | MCULE-3400679348.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
---|---|---|---|---|---|---|
P-860639201 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis | May 24, 2022 |
P-612936400 | AK Scientific | Building Blocks | 95 | As is | in stock | August 3, 2020 |
P-851881573 | AmBeed | On request | N/A | As is | by synthesis | April 1, 2022 |
P-596517517 | Asinex | General bb catalog | 90 | As is | 135 mg | 10 hours ago |
P-596453359 | Asinex | General screening catalog | 90 | As is | 135 mg | 10 hours ago |
P-611162117 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis | December 28, 2022 |
P-488865749 | Baltic Scientific Services OÜ | In-stock compounds | 95 | As is | by synthesis | September 5, 2018 |
P-861392663 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis | April 2, 2022 |
P-590341437 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock | November 27, 2022 |
P-502511000 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis | August 21, 2017 |
P-852386949 | Matrix Scientific | All | N/A | As is | in stock | February 18, 2022 |
P-854791566 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis | June 6, 2022 |
P-617672573 | Otava | In-House Stock Library | 90 | As is | in stock | November 23, 2020 |
P-617691434 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | in stock | September 16, 2022 |
P-519877417 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock | January 18, 2018 |
P-859995243 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis | May 25, 2022 |
P-454115672 | Specs | Screening Compounds | 90 | As is | 2.283 g | 10 hours ago |
P-33587458 | TimTec | ActiMol 4 Week | 90 | As is | in stock | April 1, 2014 |
P-611577298 | Toronto Research | In stock | 90 | As is | in stock | June 25, 2020 |
Property | Value |
---|---|
Components | 1 |
Mass | 175.654 |
logP | 1.5641 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 20.31 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 50.263 |
Atoms | 25 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |