Basic information
- CAS
686772-17-8- Standard SMILES
COc1ccccc1-n1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2c(c1=O)SCC2- InChIKey
RHUJMHOIQBDFQR-UHFFFAOYSA-N- Molecular formula
- C23H20N4O3S3
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.06975403
Names & identifiers
- Preferred name
- 2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
- IUPAC
- 2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
- English name
- IWP 4
- Molecular formula
- C23H20N4O3S3
- Molecular weight
- 496.62
Names & synonyms
686772-17-8IWP-4IWP 42-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamidewnt inhibitor iwp-4N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-3-(2-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl)thio]-acetamideCHEMBL1257090HB3066MFCD044577542-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide2-{[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)acetamideN-(6-Methylbenzo[d]thiazol-2-yl)-2-(3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-ylthio)acetamide
Show more names
CS-2394IWP4IWP-4 ，E0033IWP-4 >=95% (HPLC)Inhibitor of Wnt Production-4IWP-4,inhibit,IWP 4,Inhibitor,Wnt,IWP4Acetamide, N-(6-methyl-2-benzothiazolyl)-2-[[3,4,6,7-tetrahydro-3-(2-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]-
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 851
Physicochemical properties
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 2 O; · insoluble in H2O; insoluble in EtOH; insoluble in DMSO
- pka
- 9.01 · 9.01±0.70(Predicted)
- form
- powder
- color
- white to light brown
- InChI
- 1S/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)
- InChIKey
- RHUJMHOIQBDFQR-UHFFFAOYSA-N
- SMILES
- O=C1C2=C(CCS2)N=C(SCC(NC3=NC(C=CC(C)=C4)=C4S3)=O)N1C5=C(OC)C=CC=C5
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesIWP 4 is a Porcn inhibitor.
Suppliers43 total
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
ChemeGen 中国
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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