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Antifungal agent 27

CAT: 0804-HY-146023Size: 1 EachDry Ice: NoHazardous: No
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Description
Antifungal agent 27 (compound 7) is a antifungal agent. Antifungal agent 27 shows moderate antibacterial and weak antifungal activities against MRSA and C. albicans SS5314, with MIC values of 8 and 32 μg/mL, respectively[1].
CAS Number
2987755-90-6
UNSPSC
12352005
Target
Bacterial; Fungal
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/antifungal-agent-27.html
Solubility
10 mM in DMSO
Smiles
CC1=C(SC(C2=CC=C(C=C2)C(C)(C)C)=N1)C3=NN=C(O3)NCCN
Molecular Formula
C18H23N5OS
Molecular Weight
357.47
References & Citations
[1]Hagras M, et al. Oxadiazolylthiazoles as novel and selective antifungal agents. Eur J Med Chem. 2020 Mar 1;189:112046.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Antifungal agent 27
CAS Number2987755-90-6
PubChem CID162655618
IUPAC NameN'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]ethane-1,2-diamine
Molecular FormulaC18H23N5OS
Molecular Weight357.5
XLogP3.6
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity424
SMILES
CC1=C(SC(=N1)C2=CC=C(C=C2)C(C)(C)C)C3=NN=C(O3)NCCN
InChI
InChI=1S/C18H23N5OS/c1-11-14(15-22-23-17(24-15)20-10-9-19)25-16(21-11)12-5-7-13(8-6-12)18(2,3)4/h5-8H,9-10,19H2,1-4H3,(H,20,23)
InChIKey
WGLFIVVPESNTEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antifungal agent 27
CAS: 2987755-90-6
CID: 162655618
Formula: C18H23N5OS
MW: 357.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass357.16233155
Monoisotopic Mass357.16233155
Topological Polar Surface Area118 Ų
Heavy Atom Count25
Formal Charge0
Complexity424
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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