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ITX3

CAT: 0013-GTR19244309-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244309-01Size:500 mg
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Description
ITX3 is a specific and nontoxic inhibitor of TrioN (N-terminal GEF domain of the multidomain Trio protein) with an IC50 value of 76 μM. ITX3 can be used for the research of agent.
CAS Number
347323-96-0
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 2 mg/mL (5.38 mM; Ultrasonic (<80°C)
Smiles
Cc1cc (\C=c2\sc3nc4ccccc4n3c2=O) c (C) n1-c1ccccc1
Molecular Formula
C22H17N3OS
Molecular Weight
371.45
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(E)-2-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]thiazolo[3,2-a]benzimidazol-3(2H)-one
CAS Number347323-96-0
PubChem CID1362865
IUPAC Name(2E)-2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Molecular FormulaC22H17N3OS
Molecular Weight371.5
XLogP5.3
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity617
SMILES
CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/3\C(=O)N4C5=CC=CC=C5N=C4S3
InChI
InChI=1S/C22H17N3OS/c1-14-12-16(15(2)24(14)17-8-4-3-5-9-17)13-20-21(26)25-19-11-7-6-10-18(19)23-22(25)27-20/h3-13H,1-2H3/b20-13+
InChIKey
SJMYMKPBODEZSH-DEDYPNTBSA-N
Chemical Structure
2D Structure
2D structure of (E)-2-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]thiazolo[3,2-a]benzimidazol-3(2H)-one
CAS: 347323-96-0
CID: 1362865
Formula: C22H17N3OS
MW: 371.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.5
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass371.10923335
Monoisotopic Mass371.10923335
Topological Polar Surface Area65.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity617
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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