SS-catenin-IN-2

CAT: 0127-BUP07756-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07756-01Size:1 mg

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CAS Number

1458664-10-2

Purity

=98%

Smiles

CN(C)c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1

Chemical Information

beta-catenin-IN-2

CAS Number	1458664-10-2
PubChem CID	60979451
IUPAC Name	4-(6-fluoro-1H-benzimidazol-2-yl)-N,N-dimethylaniline
Molecular Formula	C15H14FN3
Molecular Weight	255.29
XLogP	3.5
Topological Polar Surface Area	31.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	302

SMILES

CN(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)F

InChI

InChI=1S/C15H14FN3/c1-19(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)18-15/h3-9H,1-2H3,(H,17,18)

InChIKey

ALWZHAOGGMSYPG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1458664-10-2

CID: 60979451

Formula: C15H14FN3

MW: 255.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.29
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	255.11717562
Monoisotopic Mass	255.11717562
Topological Polar Surface Area	31.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	302
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

Catalog	Name
BUP04267-01	SS-catenin peptide acetate
BUP22129-01	SS-Catenin modulator-8
BUP07321-01	SS-catenin modulator IIa-661
BUP02330-01	SS-Lactamase-IN-2
OR1033693-01	SS-Hydroxy-2-thiophenepropanenitrile
PC111197-01	SS-Amino-2,6-difluorobenzeneethanol
BUP09377-01	Wnt/ß-catenin agonist 2
BUP00096	SS-Cyclocitral
BUP19914-01	SS-Ocimene
BUP14352-01	SS-Anomer