Chir-98023

HCID 9847557

기본 정보

CAS
252916-76-0
표준 SMILES
O=[N+]([O-])c1ccc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)nc1
InChIKey
GUMBZKISKUIHJB-UHFFFAOYSA-N
분자식
C20H16Cl2N8O2
평균 분자량
471.3 g/mol

이름 및 식별자

우선 이름
Chir-98023
IUPAC
N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
영어명
CHIR-98023
분자식
C20H16Cl2N8O2
분자량
471.3

이름 및 동의어

CHIR-98023252916-76-0CHIR-837UNII-CMQ1L0E91YCMQ1L0E91Y1,2-Ethanediamine, N-(4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyrimidinyl)-N'-(5-nitro-2-pyridinyl)-CT-980231,2-Ethanediamine, N1-(4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyrimidinyl)-N2-(5-nitro-2-pyridinyl)-RefChem:125217CHEMBL461262N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-(5-nitropyridin-2-yl)ethane-1,2-diamineN1-(4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl)-N2-(5-nitropyridin-2-yl)ethane-1,2-diamine
이름 더 보기
1,2-Ethanediamine, N1-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyrimidinyl]-N2-(5-nitro-2-pyridinyl)-
GUMBZKISKUIHJB-UHFFFAOYSA-N[4-(2,4-dichlorophenyl)-5-imidazol -2-ylpyrimidin-2-yl]{2-[(5-nitro(2-pyridyl))amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol -2-ylpyrimidin-2-yl]{2-[(5-nitro(2-pyridyl})amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl](2-[(5-nitro(2-pyridyl))amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(5-nitro(2-pyridyl))amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(5-nitro(2-pyridyl})amino]ethyl}amineorb1697833SCHEMBL4391839

데이터베이스 식별자

CAS
252916-76-0
PubChem CID
9847557
ChEMBL
CHEMBL461262
UNII
CMQ1L0E91Y
Nikkaji
J2.436.863G

물성

구조 계산 물성

XLogP
4
극성 표면적
137 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
32

물리화학적 성질

끓는 점
790.6 · 790.6±70.0 °C(Predicted)
밀도
1.536 · 1.536±0.06 g/cm3(Predicted)
산도 계수 (pKa)
10.98 · 10.98±0.10(Predicted)

화학 및 산업

공급사4 곳

北京百奥创新科技有限公司15522676233 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

관련 반응

137건

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