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Antifungal agent 1

CAT: 0804-HY-102025-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-102025-01Size:5 mg
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Description
Antifungal agent 1 is a potent antifungal agent.
CAS Number
1265166-14-0
UNSPSC
12352005
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_1.html
Concentration
10mM
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 63°C) |H2O : < 0.1 mg/mL
Smiles
O=C(C=C1NC2=CC=C(Cl)C=C2)C(N(C)C3=C4C=C(O)C=C3)=C4C1=O
Molecular Formula
C19H13ClN2O3
Molecular Weight
352.77
References & Citations
[1]Ryu CK, et al. Synthesis and antifungal evaluation of 6-hydroxy-1H-carbazole-1,4 (9H) -diones. Bioorg Med Chem Lett. 2011 Jan 1;21 (1) :427-30.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Antifungal agent 1
CAS Number1265166-14-0
PubChem CID131704488
IUPAC Name3-(4-chloroanilino)-6-hydroxy-9-methylcarbazole-1,4-dione
Molecular FormulaC19H13ClN2O3
Molecular Weight352.8
XLogP3.9
Topological Polar Surface Area71.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity599
SMILES
CN1C2=C(C=C(C=C2)O)C3=C1C(=O)C=C(C3=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H13ClN2O3/c1-22-15-7-6-12(23)8-13(15)17-18(22)16(24)9-14(19(17)25)21-11-4-2-10(20)3-5-11/h2-9,21,23H,1H3
InChIKey
QUAFTMJUVQDZHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antifungal agent 1
CAS: 1265166-14-0
CID: 131704488
Formula: C19H13ClN2O3
MW: 352.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.8
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass352.0614700
Monoisotopic Mass352.0614700
Topological Polar Surface Area71.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity599
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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