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Antifungal agent 98

CAT: 0804-HY-W007980-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W007980-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Antifungal agent 98 (compound 2) is an antifungal agent. Antifungal agent 98 (100 μg/mL) shows insecticidal activity against Bipolaris sorokinianum, Fusarium oxysporium f. sp.vasinfectum, Pyricularia oryzae, Alternaria Brassicae and Alternaria alternata with a death rate of 41.5%, 40.0%, 23.4, 36.8%, and 35.0%[1].
CAS Number
4771-50-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Fungal
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/antifungal-agent-98.html
Purity
99.97
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC1=C2C(C(C=O)=CN2)=CC=C1
Molecular Formula
C10H9NO
Molecular Weight
159.19
Precautions
H302, H315, H319, H335
References & Citations
[1]Xu H, et al. Antifungal agents. Part 3: synthesis and antifungal activities of 3-acylindole analogs against phytopathogenic fungi in vitro. Chem Biol Drug Des. 2011;78 (5) :864-868.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

7-methyl-1H-indole-3-carbaldehyde
CAS Number4771-50-0
PubChem CID260389
IUPAC Name7-methyl-1H-indole-3-carbaldehyde
Molecular FormulaC10H9NO
Molecular Weight159.18
XLogP1.9
Topological Polar Surface Area32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity181
SMILES
CC1=C2C(=CC=C1)C(=CN2)C=O
InChI
InChI=1S/C10H9NO/c1-7-3-2-4-9-8(6-12)5-11-10(7)9/h2-6,11H,1H3
InChIKey
KTUFZHVVJBHGKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-methyl-1H-indole-3-carbaldehyde
CAS: 4771-50-0
CID: 260389
Formula: C10H9NO
MW: 159.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.18
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass159.068413911
Monoisotopic Mass159.068413911
Topological Polar Surface Area32.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity181
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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