Antibacterial agent 249

CAT: 0804-HY-159809-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-159809-01Size:1 mg

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Description

Antibacterial agent 249 demonstrates broad-spectrum antimicrobial properties, effectively inhibiting the growth of Aspergillus niger, Bacillus subtilis, Pseudomonas albicans, Escherichia coli, and Staphylococcus aureus, while also exhibiting anti-inflammatory activity in vitro, making it a potential candidate for treating bacterial infections.

CAS Number

138801-72-6

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-249.html

Smiles

CC1=C(C2=C(N1)C=CC=C2)C(C3=C(C)NC4=C3C=CC=C4)C5=CC=CS5

Molecular Formula

C23H20N2S

Molecular Weight

356.48

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

1H-Indole, 3,3'-(2-thienylmethylene)bis[2-methyl-

CAS Number	138801-72-6
PubChem CID	5013748
IUPAC Name	2-methyl-3-[(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]-1H-indole
Molecular Formula	C23H20N2S
Molecular Weight	356.5
XLogP	6.1
Topological Polar Surface Area	59.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	461

SMILES

CC1=C(C2=CC=CC=C2N1)C(C3=CC=CS3)C4=C(NC5=CC=CC=C54)C

InChI

InChI=1S/C23H20N2S/c1-14-21(16-8-3-5-10-18(16)24-14)23(20-12-7-13-26-20)22-15(2)25-19-11-6-4-9-17(19)22/h3-13,23-25H,1-2H3

InChIKey

FFCNVXLFKIJLEM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 138801-72-6

CID: 5013748

Formula: C23H20N2S

MW: 356.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	356.5
XLogP3	6.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	356.13471982
Monoisotopic Mass	356.13471982
Topological Polar Surface Area	59.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	461
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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