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DSM74

CAT: 0931-T25353-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T25353-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
898743-92-5
Target
Others, Parasite
Related Pathways
Others, Microbiology/Virology
Bioactivity
DSM74 is a metabolically stable dihydroorotate dehydrogenase inhibitor that has antimalarial activity.
Smiles
N(C=1N2C(N=C(C)C1)=NC=N2)C3=CC=C(C(F)(F)F)C=C3
Molecular Formula
C13H10F3N5
Molecular Weight
293.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dsm-74
CAS Number898743-92-5
PubChem CID25263414
IUPAC Name5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Molecular FormulaC13H10F3N5
Molecular Weight293.25
XLogP3.3
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity356
SMILES
CC1=NC2=NC=NN2C(=C1)NC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3
InChIKey
LRHHXKBKRNNFRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dsm-74
CAS: 898743-92-5
CID: 25263414
Formula: C13H10F3N5
MW: 293.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.25
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass293.08882983
Monoisotopic Mass293.08882983
Topological Polar Surface Area55.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity356
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

Alternative Products

CatalogName
HY-119057DSM74

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