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Antibacterial agent 204

CAT: 0804-HY-161413Size: 1 EachDry Ice: NoHazardous: No
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Description
Antibacterial agent 204 (Compd P2-56-3) possesses potentiated Rifampin (RIF) activity against Acinetobacter baumannii and Klebsiella pneumoniae. Antibacterial agent 204 (Compd P2-56-3) disrupts the outer membrane of A. baumannii. T[1].
CAS Number
1211465-32-5
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/antibacterial-agent-204.html
Solubility
10 mM in DMSO
Smiles
C12=CC=CC=C1N(CC3CCNCC3)C=C2
Molecular Formula
C14H18N2
Molecular Weight
214.31
References & Citations
[1]Megan W. Tse, et al. Massively parallel combination screen reveals small molecule sensitization of antibiotic-resistant Gram-negative ESKAPE pathogens. bioRxiv. 2024.05.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Antibacterial agent 204
CAS Number1211465-32-5
PubChem CID18538689
IUPAC Name1-(piperidin-4-ylmethyl)indole
Molecular FormulaC14H18N2
Molecular Weight214.31
XLogP3
Topological Polar Surface Area17
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity223
SMILES
C1CNCCC1CN2C=CC3=CC=CC=C32
InChI
InChI=1S/C14H18N2/c1-2-4-14-13(3-1)7-10-16(14)11-12-5-8-15-9-6-12/h1-4,7,10,12,15H,5-6,8-9,11H2
InChIKey
UDEHHLORFYZUJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antibacterial agent 204
CAS: 1211465-32-5
CID: 18538689
Formula: C14H18N2
MW: 214.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.31
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass214.146998583
Monoisotopic Mass214.146998583
Topological Polar Surface Area17 Ų
Heavy Atom Count16
Formal Charge0
Complexity223
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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