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NCB-0846

CAT: 0957-S8392-05Size: 1 gDry Ice: YesHazardous: No
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CAT#:0957-S8392-05Size:1 g
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Description
NCB-0846 is a novel, orally small-molecule Wnt inhibitor that inhibits TNIK (TRAF2 and NCK-Interacting Kinase, MAP4K7) with an IC50 value of 21 nM.
CAS Number
1792999-26-8
Target
Wnt/beta-catenin
Activity
Cytoskeletal Signaling
Molecular Formula
C21H21N5O2
Storage Conditions
2 years -80 in solvent

Chemical Information

Cis-4-{[2-(1h-Benzimidazol-5-Ylamino)quinazolin-8-Yl]oxy}cyclohexanol
CAS Number1792999-26-8
PubChem CID91801204
IUPAC Name4-[2-(3H-benzimidazol-5-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
Molecular FormulaC21H21N5O2
Molecular Weight375.4
XLogP3.6
Topological Polar Surface Area96
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity515
SMILES
C1CC(CCC1O)OC2=CC=CC3=CN=C(N=C32)NC4=CC5=C(C=C4)N=CN5
InChI
InChI=1S/C21H21N5O2/c27-15-5-7-16(8-6-15)28-19-3-1-2-13-11-22-21(26-20(13)19)25-14-4-9-17-18(10-14)24-12-23-17/h1-4,9-12,15-16,27H,5-8H2,(H,23,24)(H,22,25,26)
InChIKey
FYWRWBSYRGSWIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cis-4-{[2-(1h-Benzimidazol-5-Ylamino)quinazolin-8-Yl]oxy}cyclohexanol
CAS: 1792999-26-8
CID: 91801204
Formula: C21H21N5O2
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass375.16952493
Monoisotopic Mass375.16952493
Topological Polar Surface Area96 Ų
Heavy Atom Count28
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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