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IK-930

CAT: 0013-GTR19243612-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19243612-02Size:1 g
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Description
IK-930 (compound I-32) is a potent and orally active TEAD inhibitor with an EC50 value of <0.1 μM.
CAS Number
2563892-44-2
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (235.60 mM; Ultrasonic)
Smiles
N (CC1=CC=C (C (F) (F) F) C=C1) C2=C (C=C (S (NC) (=O) =O) C=C2) C=3N=CN (C) C3
Molecular Formula
C19H19F3N4O2S
Molecular Weight
424.44
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

N-methyl-3-(1-methyl-1H-imidazol-4-yl)-4-(((4-(trifluoromethyl)phenyl)methyl)amino)benzene-1-sulfonamide

IK-930 is an oral, paralog-selective TEAD inhibitor.

CAS Number2563892-44-2
PubChem CID155342988
IUPAC NameN-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.4
XLogP3
Topological Polar Surface Area84.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity632
SMILES
CNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)C(F)(F)F)C3=CN(C=N3)C
InChI
InChI=1S/C19H19F3N4O2S/c1-23-29(27,28)15-7-8-17(16(9-15)18-11-26(2)12-25-18)24-10-13-3-5-14(6-4-13)19(20,21)22/h3-9,11-12,23-24H,10H2,1-2H3
InChIKey
TVBGCXJDLVRDSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-3-(1-methyl-1H-imidazol-4-yl)-4-(((4-(trifluoromethyl)phenyl)methyl)amino)benzene-1-sulfonamide
CAS: 2563892-44-2
CID: 155342988
Formula: C19H19F3N4O2S
MW: 424.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass424.11808152
Monoisotopic Mass424.11808152
Topological Polar Surface Area84.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity632
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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