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PROTAC ERRα ligand 2 200mg

CAT: 0628-A18939-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A18939-200Size:200 mg
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CAS Number
2306388-57-6

Chemical Information

PROTAC ERRalpha ligand 2
CAS Number2306388-57-6
PubChem CID139291005
IUPAC Name(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoic acid
Molecular FormulaC20H13F6NO4
Molecular Weight445.3
XLogP5
Topological Polar Surface Area79.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity711
SMILES
COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)O)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C20H13F6NO4/c1-30-17-7-11(6-13(9-27)18(28)29)2-5-16(17)31-10-12-3-4-14(19(21,22)23)8-15(12)20(24,25)26/h2-8H,10H2,1H3,(H,28,29)/b13-6+
InChIKey
JRWKJGIKIBTXMV-AWNIVKPZSA-N
Chemical Structure
2D Structure
2D structure of PROTAC ERRalpha ligand 2
CAS: 2306388-57-6
CID: 139291005
Formula: C20H13F6NO4
MW: 445.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.3
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass445.07487687
Monoisotopic Mass445.07487687
Topological Polar Surface Area79.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-126351-01PROTAC ERRα ligand 2
T15191-01PROTAC ERRα ligand 1
T18609-01PROTAC ERRα Degrader-2
HY-139185-01PROTAC ERRα Degrader-3
T18608-01PROTAC ERRα Degrader-1
HY-128838A-01(rel) -PROTAC ERRα Degrader-1
T10734-01CDK ligand for PROTAC
M11915-01PROTAC-VHL-ligand
AMM04453GPolyclonal ESRRA / ERR Alpha Antibody (Ligand-binding Domain)
HY-175242PROTAC BRD4 ligand-4

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