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(E) -JP-2-196 TFA

CAT: 0931-T211386-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T211386-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3065021-33-9
Target
E3 Ligase Ligand-Linker Conjugate
Related Pathways
PROTAC
Bioactivity
JP-2-196 (TFA) is a molecular glue handle that binds in vitro with E3 ubiquitin ligases [RNF126, LRSAM1, RNF40, MID2, and RNF14]. It is applicable in the synthesis of molecular glue degraders.
Smiles
C(C(O)=O)(F)(F)F.C(/C=C/C(=O)N1CCNCC1)(=O)C2=CC=C(OC)C=C2
Molecular Formula
C17H19F3N2O5
Molecular Weight
388.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(E)-JP-2-196 Tfa
CAS Number3065021-33-9
PubChem CID167720027
IUPAC Name(E)-1-(4-methoxyphenyl)-4-piperazin-1-ylbut-2-ene-1,4-dione;2,2,2-trifluoroacetic acid
Molecular FormulaC17H19F3N2O5
Molecular Weight388.34
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity451
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C(=O)N2CCNCC2.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C15H18N2O3.C2HF3O2/c1-20-13-4-2-12(3-5-13)14(18)6-7-15(19)17-10-8-16-9-11-17;3-2(4,5)1(6)7/h2-7,16H,8-11H2,1H3;(H,6,7)/b7-6+;
InChIKey
FXBSOXIEMBFWQY-UHDJGPCESA-N
Chemical Structure
2D Structure
2D structure of (E)-JP-2-196 Tfa
CAS: 3065021-33-9
CID: 167720027
Formula: C17H19F3N2O5
MW: 388.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass388.12460620
Monoisotopic Mass388.12460620
Topological Polar Surface Area95.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19258113-01JP-2-196
HY-W854844BJP-2-196 (hydrochloride)
GTR19264623-01JP-2-196 hydrochloride
PC1008351(E) -JP-2-196 (TFA)
GTR19263782-01(E) -JP-2-196 TFA
GTR19181891JP-2
HY-161883JP-2-249
BA164085-01A 196
MBS3845110-01A-196

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