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ROS inducer 2

CAT: 0931-T79517-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T79517-04Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2921602-19-7
Target
ROS, Reactive Oxygen Species
Related Pathways
Immunology/Inflammation, NF-κB, Metabolism
Purity
0.9997
Bioactivity
ROS inducer 2 is a reactive oxygen species (ROS) inducer with antimicrobial activity. It inhibits Axonobactor.
Smiles
O=C(N1CC=2NC=3C=CC=CC3C2CC1)CCN(C)CC4=CC=C(C=C4)C(F)(F)F
Molecular Formula
C23H24F3N3O
Molecular Weight
415.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ROS inducer 2
CAS Number2921602-19-7
PubChem CID168510579
IUPAC Name3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
Molecular FormulaC23H24F3N3O
Molecular Weight415.5
XLogP3.8
Topological Polar Surface Area39.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity591
SMILES
CN(CCC(=O)N1CCC2=C(C1)NC3=CC=CC=C23)CC4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C23H24F3N3O/c1-28(14-16-6-8-17(9-7-16)23(24,25)26)12-11-22(30)29-13-10-19-18-4-2-3-5-20(18)27-21(19)15-29/h2-9,27H,10-15H2,1H3
InChIKey
JWOOZYLHBJNYDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ROS inducer 2
CAS: 2921602-19-7
CID: 168510579
Formula: C23H24F3N3O
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass415.18714688
Monoisotopic Mass415.18714688
Topological Polar Surface Area39.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity591
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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