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CID 5951923

CAT: 0013-GTR19172645-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172645-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CID 5951923 is a potent small molecule inhibitor of the KLF5 transcription factor, exhibiting an IC50 value of 603 nM. This compound is a valuable research tool for investigating KLF5 function in cancer biology and other fields, with utility in both in vitro and in vivo experimental models.
CAS Number
749872-43-3
Product Name Alternative
DNASynthesis, DNA Synthesis, CID 5951923, CID-5951923, CID5951923, cancer, factor, Inhibitor, inhibit, KLF, KLF5, Krüppel-like, Krüppel-like factor, RNASynthesis, RNA Synthesis, transcription
Field of Research
Cell Biology, Molecular Biology, Signal Transduction
Purity
99.95% (May vary between batches)
Solubility
DMSO:3.83 mg/mL (10.02 mM)
Smiles
CN (C1CCS (=O) (=O) C1) C (=O) COC (=O) \C=C\c1cccc (c1) [N+] ([O-]) =O
Molecular Formula
C16H18N2O7S
Molecular Weight
382.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-((1,1-Dioxidotetrahydrothiophen-3-yl)(methyl)amino)-2-oxoethyl 3-(3-nitrophenyl)acrylate
CAS Number749872-43-3
PubChem CID5951923
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
Molecular FormulaC16H18N2O7S
Molecular Weight382.4
XLogP1.1
Topological Polar Surface Area135
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity678
SMILES
CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H18N2O7S/c1-17(14-7-8-26(23,24)11-14)15(19)10-25-16(20)6-5-12-3-2-4-13(9-12)18(21)22/h2-6,9,14H,7-8,10-11H2,1H3/b6-5+
InChIKey
URVRJYLSUVXWBC-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of 2-((1,1-Dioxidotetrahydrothiophen-3-yl)(methyl)amino)-2-oxoethyl 3-(3-nitrophenyl)acrylate
CAS: 749872-43-3
CID: 5951923
Formula: C16H18N2O7S
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass382.08347209
Monoisotopic Mass382.08347209
Topological Polar Surface Area135 Ų
Heavy Atom Count26
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
254981-01CID 5951923
2690-5CID-5951923
ZEB87243KLF5 Inhibitor, CID 5951923
217493KLF5 Inhibitor, CID 5951923 (2- ((1,1-Dioxidotetrahydrothiophen-3-yl, methyl) amino) -2-oxoethyl- (2E) -3- (3-nitrophenyl) prop-2-enoate)

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