IWP 4 - ≥98%(HPLC) , CAS No.686772-17-8

CAS: 686772-17-8 Cat. No.: I287229 Molecular Weight: 496.62 EC Number: 809-827-9
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(HPLC)
Synonyms
2-{[3-(2-methoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide | HB3066 | N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-3-(2-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl)thio]-acetamid
Storage
Store at 2-8°C
Shipped In
Wet ice
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Size
Status
Price
Qty
10mg
I287229-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$94.90

$142.90
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50mg
I287229-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$270.90

$406.90
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Why this grade

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

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
2-{[3-(2-methoxyphenyl)-4-oxo-3H, 4H, 6H, 7H-thieno[3, 2-d]pyrimidin-2-yl]sulfanyl}-N-(6-methyl-1, 3-benzothiazol-2-yl)acetamide | HB3066 | N-(6-Methyl-2-benzothiazolyl)-2-[(3, 4, 6, 7-tetrahydro-3-(2-methoxyphenyl)-4-oxothieno[3, 2-d]pyrimidin-2-yl)thio]-acetamid
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
Potent inhibitor of Wnt/β-catenin signaling (IC50= 25 nM). Has minimal effect on Notch and Hedgehog signaling pathways. Induces differentiation of cardiomyocytes from human ESCs and iPSCs.
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥98%(HPLC)
Names and Identifiers
Canonical SmilesCC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5OC)SCC4
IUPAC Name2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
InChIKeyRHUJMHOIQBDFQR-UHFFFAOYSA-N
INCHI1S/C23H20N4O3S3/c1-13-7-8-14-18(11-13)33-22(24-14)26-19(28)12-32-23-25-15-9-10-31-20(15)21(29)27(23)16-5-3-4-6-17(16)30-2/h3-8,11H,9-10,12H2,1-2H3,(H,24,26,28)
Isomeric SMILES CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5OC)SCC4
Molecular Weight 496.62
Reaxy-Rn 19908788
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19908788&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassThienopyrimidines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThienopyrimidines
Alternative Parents Benzothiazoles  Methoxyanilines  Phenoxy compounds  Anisoles  N-arylamides  Methoxybenzenes  Pyrimidones  Alkyl aryl ethers  Alkylarylthioethers  Thiazoles  Heteroaromatic compounds  Secondary carboxylic acid amides  Lactams  Azacyclic compounds  Sulfenyl compounds  Carbonyl compounds  Organic oxides  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Thienopyrimidine - Methoxyaniline - 1,3-benzothiazole - Phenol ether - N-arylamide - Phenoxy compound - Methoxybenzene - Aryl thioether - Anisole - Alkylarylthioether - Pyrimidone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Thiazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
DescriptionThis 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 Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1E Tclin Casein kinase I epsilon (1412 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CAPAN-1 (772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PANC-1 (6144 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW-620 (52400 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Danio rerio (3092 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilitySolvent:DMSO, Max Conc. mg/mL: 0.5, Max Conc. mM: 1
Molecular Weight496.600 g/mol
XLogP34.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass496.07 Da
Monoisotopic Mass496.07 Da
Topological Polar Surface Area163.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity851.000
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
Solution Calculators
Reviews

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