2-((2,6-Difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylic acid

Name: 2-((2,6-Difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylic acid
Brand: ChemScene
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CAS No. 1589503-95-6
Cat. No. CS-0137624
Molecule weight519.52
Purity≥98%
MDL No.None

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2-((2,6-Difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylic acid|CS-0137624

Structure of 1589503-95-6

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General Information

CAS No. 1589503-95-6
Cat. No. CS-0137624
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₄H₂₃F₂N₃O₆S
Molecular Weight 519.52
Synonym(s) None
SMILES O=C(C1=C(N(CC2=C(F)C=CC=C2F)C(OCC)=O)SC(C3=CC=C([N+]([O-])=O)C=C3)=C1CN(C)C)O

Description

This thiophene-based scaffold integrates a difluorobenzyl amide, ethoxycarbonyl group, dimethylaminomethyl moiety, and para-nitrophenyl substituent, enabling modular derivatization in synthetic medicinal chemistry. The electron-deficient thiophene core supports conjugation, while the sterically accessible carboxylic acid facilitates coupling reactions under standard conditions.

Application

This compound serves as a versatile building block for medicinal chemistry campaigns, featuring a thiophene core with orthogonal functional groups enabling diverse derivatization. The carboxylic acid facilitates amide coupling, while the nitro group permits reduction and subsequent heterocycle formation. The difluorobenzyl and dimethylaminomethyl moieties provide enhanced metabolic stability and tunable lipophilicity, supporting structure-activity relationship studies in target-directed 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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

TPSA N/A
LogP N/A
H_Acceptors N/A
H_Donors N/A
Rotatable_Bonds N/A

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Amide

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-((2,6-Difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylic acid

CAS No. 1589503-95-6

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