WAY-623643 - 10mM in DMSO , CAS No.956779-13-8

CAS: 956779-13-8 Cat. No.: W427094 Formula: C₁₆H₁₉N₃O₅S Molecular Weight: 365.4

GRADE & PURITY 10mM in DMSO

Synonyms

956779-13-8|2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate|SMR000248839|MLS000334081|WAY-351675|MLS003913040|CHEMBL1700003|DTXSID101106464|HMS2572H14|AKOS000842257|Z16839906|2-[(2,4-Difluoroph

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Catalytic Inhibitors of the Human DNA Topoisomerase Iia; altering the lifespan of a eukaryotic organism;

Specifications

Synonyms

956779-13-8 | 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate | SMR000248839 | MLS000334081 | WAY-351675 | MLS003913040 | CHEMBL1700003 | DTXSID101106464 | HMS2572H14 | AKOS000842257 | Z16839906 | 2-[(2,4-Difluoroph

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

• ALogP: 0.879
• hba_count: 6
• HBD Count: 1
• Rotatable Bond: 6

Names and Identifiers

• Canonical Smiles: CC1=NN(C(=C1C=CC(=O)OCC(=O)NC2=C(C=C(C=C2)F)F)Cl)C3=CC=C(C=C3)F
• IUPAC Name: [2-(2,4-difluoroanilino)-2-oxoethyl] (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoate
• InChIKey: ISPQYCPRTDVMPP-VQHVLOKHSA-N
• INCHI: 1S/C21H15ClF3N3O3/c1-12-16(21(22)28(27-12)15-5-2-13(23)3-6-15)7-9-20(30)31-11-19(29)26-18-8-4-14(24)10-17(18)25/h2-10H,11H2,1H3,(H,26,29)/b9-7+
• Isomeric SMILES: CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2=C(C=C(C=C2)F)F)Cl)C3=CC=C(C=C3)F
• Molecular Weight: 365.4
• Reaxy-Rn: 57305932
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=57305932&ln=

Associated Targets(Human)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10

Frequently Asked Questions

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 956779-13-8, the molecular formula is C16H19N3O5S, and the molecular weight is 365.4 g/mol. InChIKey ISPQYCPRTDVMPP-VQHVLOKHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.