5,7-Dichloro-8-fluoro-2-(methylthio)pyrido[4,3-d]pyrimidin-4(1H)-one

Name: 5,7-Dichloro-8-fluoro-2-(methylthio)pyrido[4,3-d]pyrimidin-4(1H)-one
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CAS No. 2763157-90-8
Cat. No. CS-0568075
Purity≥97%
MDL No.None

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5,7-Dichloro-8-fluoro-2-(methylthio)pyrido[4,3-d]pyrimidin-4(1H)-one|CS-0568075

Structure of 2763157-90-8

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General Information

CAS No. 2763157-90-8
Cat. No. CS-0568075
Purity ≥97%
MDL No. None
Storage Store at room temperature, keep dry and cool
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄Cl₂FN₃OS
Molecular Weight 280.11
Synonym(s) None
SMILES O=C1C(C(Cl)=NC(Cl)=C2F)=C2NC(SC)=N1

Description

5,7-Dichloro-8-fluoro-2-(methylthio)pyrido[4,3-d]pyrimidin-4(1H)-one is a heterocyclic scaffold featuring orthogonal halogenation and a methylthio substituent, enabling selective functionalization in medicinal chemistry. This electron-deficient core integrates readily into kinase inhibitor scaffolds and supports robust conjugation under standard coupling conditions.

Application

5,7-Dichloro-8-fluoro-2-(methylthio)pyrido[4,3-d]pyrimidin-4(1H)-one serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical synthesis. Its orthogonal functional groups enable selective derivatization via nucleophilic substitution and cross-coupling reactions. The molecule exhibits bench stability, facilitates purification by standard chromatographic methods, and functions as a core scaffold in kinase inhibitor and antiviral agent development.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 58.64
LogP 2.4859
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Drug Discovery Cancer KRAS

Key Words

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5,7-Dichloro-8-fluoro-2-(methylthio)pyrido[4,3-d]pyrimidin-4(1H)-one

CAS No. 2763157-90-8

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