CL-300619 - ≥98% , CAS No.19819-18-2

CAS: 19819-18-2 Cat. No.: C416695 분자식: C16H14N2OS 분자량: 282.36
주문 가능
GRADE & PURITY ≥98%
Synonyms
Antiproliferative agent-15 | 2-Phenyl-5,6,7,8-tetrahydro(1)benzothieno(2,3-d)pyrimidin-4(1H)-one | HY-W278944 | AKOS000281431 | 2-Phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one | (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetra
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
5mg
C416695-5mg
3 재고 있음
—
US$20.90
25mg
C416695-25mg
3 재고 있음
—
US$73.90
100mg
C416695-100mg
2 재고 있음
—
US$234.90
250mg
C416695-250mg
2 재고 있음
—
US$469.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

antiinflammatory agents; BRD4 Inhibitor; anticancer efficacy.

Specifications

동의어
Antiproliferative agent-15 | 2-Phenyl-5,6,7,8-tetrahydro(1)benzothieno(2,3-d)pyrimidin-4(1H)-one | HY-W278944 | AKOS000281431 | 2-Phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one | (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetra
사양 및 순도
≥98%
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
순수함
≥98%
제품 특성
ALogP
3.663
hba_count
2
HBD 수
1
회전 가능한 결합
1
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504757844
정식 스마일
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=CC=C4
IUPAC Name
2-phenyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
InChIKey
CDFWRIZOSNAGCV-UHFFFAOYSA-N
INCHI
1S/C16H14N2OS/c19-15-13-11-8-4-5-9-12(11)20-16(13)18-14(17-15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,18,19)
이성체 SMILES
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=CC=C4
분자량
282.36
Reaxy-Rn
548025
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=548025&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
분류Thienopyrimidines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThienopyrimidines
Alternative Parents Pyrimidones  Benzene and substituted derivatives  Thiophenes  Heteroaromatic compounds  Lactams  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Thienopyrimidine - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A2780 (11979 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-15 (51914 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHO (4503 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate Type날짜항목
K2218371Certificate of AnalysisSep 04, 2025 C416695
K2218372Certificate of AnalysisSep 04, 2025 C416695
K2218373Certificate of AnalysisSep 04, 2025 C416695
K2218374Certificate of AnalysisSep 04, 2025 C416695
화학 및 물리적 특성
DMSO(mM) 최대 용해도10
분자량282.400 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass282.083 Da
Monoisotopic Mass282.083 Da
Topological Polar Surface Area69.700 Ų
Heavy Atom Count20
Formal Charge0
Complexity430.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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