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VPC-18005

CAT: 0931-T60051-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60051-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2242480-48-2
Target
Others, DNA/RNA Synthesis
Related Pathways
Others, DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Purity
0.9995
Bioactivity
VPC-18005 is a luciferase inhibitor. VPC-18005 inhibits ERG-induced transcription and interacts directly with the ERG-ETS domain thereby disrupting the ERG binding to DNA.
Smiles
N(/N=C\C1=CC=C(C(C)C)C=C1)=C\2/SC(CC(O)=O)C(=O)N2
Molecular Formula
C15H17N3O3S
Molecular Weight
319.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-((Z)-2-(((Z)-4-isopropylbenzylidene)hydrazineylidene)-4-oxothiazolidin-5-yl)acetic acid
CAS Number2242480-48-2
PubChem CID136192781
IUPAC Name2-[(2Z)-4-oxo-2-[(Z)-(4-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
Molecular FormulaC15H17N3O3S
Molecular Weight319.4
XLogP2.6
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity482
SMILES
CC(C)C1=CC=C(C=C1)/C=N\N=C/2\NC(=O)C(S2)CC(=O)O
InChI
InChI=1S/C15H17N3O3S/c1-9(2)11-5-3-10(4-6-11)8-16-18-15-17-14(21)12(22-15)7-13(19)20/h3-6,8-9,12H,7H2,1-2H3,(H,19,20)(H,17,18,21)/b16-8-
InChIKey
DTEAZCJUKPARQD-PXNMLYILSA-N
Chemical Structure
2D Structure
2D structure of 2-((Z)-2-(((Z)-4-isopropylbenzylidene)hydrazineylidene)-4-oxothiazolidin-5-yl)acetic acid
CAS: 2242480-48-2
CID: 136192781
Formula: C15H17N3O3S
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass319.09906259
Monoisotopic Mass319.09906259
Topological Polar Surface Area116 Ų
Heavy Atom Count22
Formal Charge0
Complexity482
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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