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Antiparasitic agent-18

CAT: 0931-T79415-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T79415-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2821884-59-5
Target
Parasite
Related Pathways
Microbiology/Virology
Bioactivity
Antiparasitic agent-18 (compound 3a) exhibits potent and selective antiprotozoal activity, effectively inhibiting T. brucei (EC50 = 0.4 μM), T. cruzi (EC50 = 0.21 μM), and L. donovani (EC50 = 0.26 μM) [1].
Smiles
N(C(=N)C1=CC=CC=N1)C2=CC=C(C(NC3=CC=C(NC(=N)C4=CC=CC=N4)C=C3)=O)C=C2
Molecular Formula
C25H21N7O
Molecular Weight
435.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antiparasitic agent-18
CAS Number2821884-59-5
PubChem CID169450658
IUPAC Name4-[[amino(pyridin-2-yl)methylidene]amino]-N-[4-[[amino(pyridin-2-yl)methylidene]amino]phenyl]benzamide
Molecular FormulaC25H21N7O
Molecular Weight435.5
XLogP2.7
Topological Polar Surface Area132
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity693
SMILES
C1=CC=NC(=C1)C(=NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N=C(C4=CC=CC=N4)N)N
InChI
InChI=1S/C25H21N7O/c26-23(21-5-1-3-15-28-21)30-18-9-7-17(8-10-18)25(33)32-20-13-11-19(12-14-20)31-24(27)22-6-2-4-16-29-22/h1-16H,(H2,26,30)(H2,27,31)(H,32,33)
InChIKey
ZUYUSBWVNHNMIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antiparasitic agent-18
CAS: 2821884-59-5
CID: 169450658
Formula: C25H21N7O
MW: 435.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass435.18075832
Monoisotopic Mass435.18075832
Topological Polar Surface Area132 Ų
Heavy Atom Count33
Formal Charge0
Complexity693
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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