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OfChi-h-IN-2

CAT: 0013-GTR19219068-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219068-01Size:5 mg
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Description
OfChi-h-IN-2 (TQ19) is a potent small-molecule inhibitor of OfChi-h with a Ki of 0.33 μM. It effectively disrupts the growth of Ostrinia nubilalis larvae in vivo, making it a valuable chemical tool for research in insect biochemistry and the development of novel agricultural insecticides.
CAS Number
902932-91-6
Field of Research
Infectious Disease & Virology
Smiles
O=C1C=2C=CC=CC2N3C (=NN=C3CCC (=O) NCC4=CC=C (Cl) C=C4) N1CCCOC (C) C
Molecular Formula
C25H28ClN5O3
Molecular Weight
481.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

OfChi-h-IN-2
CAS Number902932-91-6
PubChem CID20881223
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
Molecular FormulaC25H28ClN5O3
Molecular Weight482.0
XLogP3.2
Topological Polar Surface Area89.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity687
SMILES
CC(C)OCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3CCC(=O)NCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H28ClN5O3/c1-17(2)34-15-5-14-30-24(33)20-6-3-4-7-21(20)31-22(28-29-25(30)31)12-13-23(32)27-16-18-8-10-19(26)11-9-18/h3-4,6-11,17H,5,12-16H2,1-2H3,(H,27,32)
InChIKey
QQTNTMQQHPDLQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of OfChi-h-IN-2
CAS: 902932-91-6
CID: 20881223
Formula: C25H28ClN5O3
MW: 482.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.0
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass481.1880675
Monoisotopic Mass481.1880675
Topological Polar Surface Area89.4 Ų
Heavy Atom Count34
Formal Charge0
Complexity687
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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