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OfChi-h-IN-2

CAT: 0931-T81619-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T81619-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
902932-91-6
Target
Parasite
Related Pathways
Microbiology/Virology
Bioactivity
OfChi-h-IN-2 (compound TQ19) is a potent OfChi-h inhibitor with a K_i of 0.33 μM, significantly impairing the growth and development of Ostrinia nubilalis larvae, and is relevant for agricultural insecticide research [1].
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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