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VPC-16606

CAT: 0013-GTR19210021-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210021-02Size:50 mg
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Description
VPC-16606 is a selective small molecule inhibitor that potently blocks ERα-driven cellular proliferation and transcription by disrupting the ERα ligand-binding domain's interaction with SRC-3 coactivator proteins. This compound is a valuable research tool for studying estrogen receptor biology in breast cancer models, applicable in both in vitro assays and in vivo xenograft studies.
CAS Number
2027540-49-2
Smiles
CC1=C2C (C (=O) C (=NN (C (C) =O) C3=C (Cl) C=CC=C3) S2) =CC=C1
Molecular Formula
C17H13ClN2O2S
Molecular Weight
344.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-chlorophenyl)-N-[(Z)-(7-methyl-3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
CAS Number2027540-49-2
PubChem CID122632311
IUPAC NameN-(2-chlorophenyl)-N-[(Z)-(7-methyl-3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.8
XLogP4.4
Topological Polar Surface Area75
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity525
SMILES
CC1=C2C(=CC=C1)C(=O)/C(=N/N(C3=CC=CC=C3Cl)C(=O)C)/S2
InChI
InChI=1S/C17H13ClN2O2S/c1-10-6-5-7-12-15(22)17(23-16(10)12)19-20(11(2)21)14-9-4-3-8-13(14)18/h3-9H,1-2H3/b19-17-
InChIKey
KXLNYDWQXSNLPB-ZPHPHTNESA-N
Chemical Structure
2D Structure
2D structure of N-(2-chlorophenyl)-N-[(Z)-(7-methyl-3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
CAS: 2027540-49-2
CID: 122632311
Formula: C17H13ClN2O2S
MW: 344.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.8
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass344.0386265
Monoisotopic Mass344.0386265
Topological Polar Surface Area75 Ų
Heavy Atom Count23
Formal Charge0
Complexity525
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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