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Antifungal agent 59

CAT: 0931-T79087-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T79087-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2422019-96-1
Target
Antifungal, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
Antifungal agent 59 exhibits potent activity, reflected by MIC values ranging from 0.01 to 1 μg/mL, and inhibits the formation of fungal biofilms, while maintaining safety [1].
Smiles
C(CN1C=CN=C1)([Se]CC2=C(Br)C=CC=C2)C3=C(F)C=C(F)C=C3
Molecular Formula
C18H15BrF2N2Se
Molecular Weight
456.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antifungal agent 59
CAS Number2422019-96-1
PubChem CID162673663
IUPAC Name1-[2-[(2-bromophenyl)methylselanyl]-2-(2,4-difluorophenyl)ethyl]imidazole
Molecular FormulaC18H15BrF2N2Se
Molecular Weight456.2
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity390
SMILES
C1=CC=C(C(=C1)C[Se]C(CN2C=CN=C2)C3=C(C=C(C=C3)F)F)Br
InChI
InChI=1S/C18H15BrF2N2Se/c19-16-4-2-1-3-13(16)11-24-18(10-23-8-7-22-12-23)15-6-5-14(20)9-17(15)21/h1-9,12,18H,10-11H2
InChIKey
SXHJJTJGPYLSKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antifungal agent 59
CAS: 2422019-96-1
CID: 162673663
Formula: C18H15BrF2N2Se
MW: 456.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight456.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass455.95519
Monoisotopic Mass455.95519
Topological Polar Surface Area17.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes