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YF-2

CAT: 0931-T5468-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T5468-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1311423-89-8
Target
Histone Acetyltransferase, Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic
Purity
0.9933
Bioactivity
YF-2 is blood-brain-barrier permeable histone acetyltransferase activator, acetylates H3 in the hippocampus, CBP, PCAF, and GCN5 with EC50s of 2.75 μM, 29.04 μM and 49.31 μM , respectively
Smiles
CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Molecular Formula
C20H22ClF3N2O3
Molecular Weight
430.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-Chloro-3-(trifluoromethyl)phenyl)-2-(2-(dimethylamino)ethoxy)-6-ethoxybenzamide
CAS Number1311423-89-8
PubChem CID53230697
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]-6-ethoxybenzamide
Molecular FormulaC20H22ClF3N2O3
Molecular Weight430.8
XLogP4.6
Topological Polar Surface Area50.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity522
SMILES
CCOC1=C(C(=CC=C1)OCCN(C)C)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C20H22ClF3N2O3/c1-4-28-16-6-5-7-17(29-11-10-26(2)3)18(16)19(27)25-13-8-9-15(21)14(12-13)20(22,23)24/h5-9,12H,4,10-11H2,1-3H3,(H,25,27)
InChIKey
TZHLDFAKTWDTOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-Chloro-3-(trifluoromethyl)phenyl)-2-(2-(dimethylamino)ethoxy)-6-ethoxybenzamide
CAS: 1311423-89-8
CID: 53230697
Formula: C20H22ClF3N2O3
MW: 430.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.8
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass430.1271047
Monoisotopic Mass430.1271047
Topological Polar Surface Area50.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5751866YF-2
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A21018-1YF-2 1mg
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