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QST4

CAT: 0804-HY-156421-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-156421-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
QST4 has antitubercular activity, with the MIC value of 6.25 μM in Mycobacterium tuberculosis H37Rv[1].
CAS Number
2991427-35-9
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/qst4.html
Purity
99.23
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=S(NNC(NC1=CC(Cl)=CC=C1)=S)(C2=CC=CC3=CC=CN=C32)=O
Molecular Formula
C16H13ClN4O2S2
Molecular Weight
392.88
References & Citations
[1]Novel Quinoline-Based Thiosemicarbazide Derivatives: Synthesis, DFT Calculations, and Investigation of Antitubercular, Antibacterial, and Antifungal Activities
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

N-(3-Chlorophenyl)-2-(quinolin-8-ylsulfonyl)hydrazine-1-carbothioamide
CAS Number2991427-35-9
PubChem CID169450725
IUPAC Name1-(3-chlorophenyl)-3-(quinolin-8-ylsulfonylamino)thiourea
Molecular FormulaC16H13ClN4O2S2
Molecular Weight392.9
XLogP2.3
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity569
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)NNC(=S)NC3=CC(=CC=C3)Cl)N=CC=C2
InChI
InChI=1S/C16H13ClN4O2S2/c17-12-6-2-7-13(10-12)19-16(24)20-21-25(22,23)14-8-1-4-11-5-3-9-18-15(11)14/h1-10,21H,(H2,19,20,24)
InChIKey
UMUSCELIFFRVEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Chlorophenyl)-2-(quinolin-8-ylsulfonyl)hydrazine-1-carbothioamide
CAS: 2991427-35-9
CID: 169450725
Formula: C16H13ClN4O2S2
MW: 392.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.9
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass392.0168457
Monoisotopic Mass392.0168457
Topological Polar Surface Area124 Ų
Heavy Atom Count25
Formal Charge0
Complexity569
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
T77730-01QST4

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