3-(2-Chloropyrimidin-4-yl)-1H-indole

Name: 3-(2-Chloropyrimidin-4-yl)-1H-indole
Brand: ChemScene
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CAS No. 945016-63-7
Cat. No. CS-D1258
Purity≥97%
MDL No.MFCD16658942

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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3-(2-Chloropyrimidin-4-yl)-1H-indole|CS-D1258

Structure of 945016-63-7

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General Information

CAS No. 945016-63-7
Cat. No. CS-D1258
Purity ≥97%
MDL No. MFCD16658942
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₈ClN₃
Molecular Weight 229.67
Synonym(s) 3-(2-Chloro-4-pyrimidyl)indole
SMILES ClC1=NC=CC(C2=CNC3=C2C=CC=C3)=N1

Description

3-(2-Chloropyrimidin-4-yl)-1H-indole integrates a chloropyrimidine handle with an indole scaffold, enabling direct incorporation into bioactive scaffolds. The electron-deficient pyrimidine ring facilitates nucleophilic substitution, while the indole core provides a rigid, planar platform for target engagement in kinase inhibition and medicinal chemistry campaigns.

Application

3-(2-Chloropyrimidin-4-yl)-1H-indole serves as a versatile building block in medicinal chemistry, enabling efficient construction of bioactive heterocycles via palladium-catalyzed cross-coupling reactions. The chloropyrimidine moiety offers high reactivity in SNAr processes, while the indole core provides a privileged scaffold for drug discovery. Bench-stable and compatible with standard purification methods, it facilitates rapid diversification in target-oriented synthesis.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 41.57
LogP 3.2783
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

Key Words

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3-(2-Chloropyrimidin-4-yl)-1H-indole

CAS No. 945016-63-7

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