MCULE-2932416746
- 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 | 20 USD | N/A | 17 working days | Get Quote |
5 mg | 33 USD | N/A | 17 working days | Get Quote |
10 mg | 39 USD | N/A | 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-2932416746.sdf |
SMILES | MCULE-2932416746.smiles |
Standard InChI | MCULE-2932416746.inchi |
InChIKey | MCULE-2932416746.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
---|---|---|---|---|---|---|
P-19873212 | Alinda | Stock Screening Compounds | N/A | As is | in stock | December 15, 2012 |
P-488569271 | Aronis | Resyn Screening Compounds | 95 | As is | by resynthesis (? - ? days) | March 16, 2016 |
P-445622836 | Aronis | In-stock screening compounds | 90 | As is | in stock | May 29, 2017 |
P-5507560 | ChemBridge | EXPRESS-Pick Collection | 85 | As is | 5 mg | April 6 |
P-3969423 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg | Wednesday |
P-13127196 | Otava | In-House Stock Library | 90 | As is | in stock | November 2, 2012 |
P-617708546 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | in stock | January 23 |
P-424801662 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock | July 1, 2017 |
P-481439290 | Scientific Exchange, Inc. | Compounds from stock in Eastern Europe | N/A | As is | in stock | June 13, 2016 |
P-12890745 | Specs | Screening Compounds | 90 | As is | 164 mg | Wednesday |
P-22480305 | TimTec | ActiMol 1 Week | 90 | As is | in stock | April 1, 2014 |
P-563171 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 187 mg | Wednesday |
P-3244272 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 187 mg | Wednesday |
Property | Value |
---|---|
Components | 1 |
Mass | 230.331 |
logP | 3.11018 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 61.98 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 67.245 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |