MK-2894

HCID 24952929

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1006036-87-8
표준 SMILES: Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1
InChIKey: QJZQFVRFJCGDKF-UHFFFAOYSA-N
분자식: C25H22F3NO3S
평균 분자량: 473.5 g/mol
단동위원소 질량: 473.12724922

이름 및 식별자

우선 이름: MK-2894
IUPAC: 4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acid
영어명: 4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoic acid
분자식: C25H22F3NO3S
분자량: 473.51

이름 및 동의어

MK-28944-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acidMK 2894MK2894DTXSID606480634-{1-[(2,5-Dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}thiophene-3-carbonyl)amino]cyclopropyl}benzoic acid4-(1-((2,5-Dimethyl-4-((4-(trifluoromethyl)phenyl)methyl)thiophene-3-carbonyl)amino)cyclopropyl)benzoic acidRefChem:159193DTXCID205988131006036-87-8CID 24952929CHEMBL597997

이름 더 보기

Benzoic acid, 4-[1-[[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]-

4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoic acid4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acidC25H22F3NO3S4-(1-(((2,5-Dimethyl-4-((4-(trifluoromethyl)phenyl)methyl)-3-thienyl)carbonyl)amino)cyclopropyl)benzoic acidCS-0679GTPL4041orb1709116SCHEMBL2351863

데이터베이스 식별자

CAS: 1006036-87-8
PubChem CID: 24952929
DTXSID: DTXSID60648063
ChEMBL: CHEMBL597997
Nikkaji: J2.851.003I

물성

구조 계산 물성

XLogP: 5.9
극성 표면적: 94.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 6
무거운 원자 수: 33
형식 전하: 0
복잡도: 725

물리화학적 성질

녹는점: 254 · 254-256℃
끓는 점: 569.4 · 569.4±50.0 °C(Predicted)
밀도: 1.39 · 1.39±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: DMSO에 용해됨
물리적 상태: 가루
산도 계수 (pKa): 4.35 · 4.35±0.10(Predicted)
색상: White to light brown

화학 및 산업

공급사28 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

Aladdin Scientific[email protected]

InvivoChem中国13549236410 · [email protected]

BOC Sciences1-631-485-4226; 16314854226 · [email protected]

AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]

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