WIKI4

CAT: 0931-T3062-04Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T3062-04Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

838818-26-1

Target

PARP, Wnt/beta-catenin

Related Pathways

Stem Cells, Cytoskeletal Signaling, DNA Damage/DNA Repair, Chromatin/Epigenetic

Purity

0.9971

Bioactivity

WIKI4 is a potent inhibitor of Wnt/β-catenin signaling and tankyrase 2 (TNKS2) .

Smiles

COc1ccc(cc1)-n1c(SCCCN2C(=O)c3cccc4cccc(C2=O)c34)nnc1-c1ccncc1

Molecular Formula

C29H23N5O3S

Molecular Weight

521.59

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2-[3-[[4-(4-Methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione

CAS Number	838818-26-1
PubChem CID	2984337
IUPAC Name	2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
Molecular Formula	C29H23N5O3S
Molecular Weight	521.6
XLogP	4.8
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	38
Formal Charge	0
Complexity	803

SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6

InChI

InChI=1S/C29H23N5O3S/c1-37-22-11-9-21(10-12-22)34-26(20-13-15-30-16-14-20)31-32-29(34)38-18-4-17-33-27(35)23-7-2-5-19-6-3-8-24(25(19)23)28(33)36/h2-3,5-16H,4,17-18H2,1H3

InChIKey

RNUXIZKXJOGYQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 838818-26-1

CID: 2984337

Formula: C29H23N5O3S

MW: 521.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	521.6
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	521.15216079
Monoisotopic Mass	521.15216079
Topological Polar Surface Area	116 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	803
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
A4531-10	WIKI4
A14283-10	WIKI4 10mg
HY-16910G	WIKI4 (GMP)
A14283-200	WIKI4 200mg
A14283-50	WIKI4 50mg
257103-01	WIKI4 discontinued
A14283-100	WIKI4 100mg
A14283-25	WIKI4 25mg

WIKI4

Chemical Information

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