Products for Research Use Only
RegisterLogin

LolCDE-IN-4

CAT: 0804-HY-126463-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-126463-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
LolCDE-IN-4 (Compound 1) is exhibits antibacterial efficacy against gram negative bacteria Escherichia coli (MIC of 0.25-32 µg/ml) and Haemophilus influenzae, through inhibition LolCDE complex and disruption of lipoproteins release from the inner membrane[1].
CAS Number
1859918-13-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/lolcde-in-4.html
Purity
99.39
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(C1=NC(C2=CC=NC=C2)=C(C3=CC=C(OCCO4)C4=C3)N1)(C)C
Molecular Formula
C20H21N3O2
Molecular Weight
335.40
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501
References & Citations
[1]McLeod SM, et al., Small-molecule inhibitors of gram-negative lipoprotein trafficking discovered by phenotypic screening. J Bacteriol. 2015 Mar;197 (6) :1075-82.
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

4-(2-(tert-Butyl)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-imidazol-4-yl)pyridine
CAS Number1859918-13-0
PubChem CID118720982
IUPAC Name4-[2-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-5-yl]pyridine
Molecular FormulaC20H21N3O2
Molecular Weight335.4
XLogP3.7
Topological Polar Surface Area60
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity447
SMILES
CC(C)(C)C1=NC(=C(N1)C2=CC=NC=C2)C3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C20H21N3O2/c1-20(2,3)19-22-17(13-6-8-21-9-7-13)18(23-19)14-4-5-15-16(12-14)25-11-10-24-15/h4-9,12H,10-11H2,1-3H3,(H,22,23)
InChIKey
FMMASVYJXZCKKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-(tert-Butyl)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-imidazol-4-yl)pyridine
CAS: 1859918-13-0
CID: 118720982
Formula: C20H21N3O2
MW: 335.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass335.16337692
Monoisotopic Mass335.16337692
Topological Polar Surface Area60 Ų
Heavy Atom Count25
Formal Charge0
Complexity447
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

Related Products

CatalogName
HY-136802LolCDE-IN-3
HY-130840-01LolCDE-IN-2
HY-130839-01LolCDE-IN-1
HY-W099255-01Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
HY-W7200064,4'-Diapo-ω, ω-carotene-4,4'-dial
HY-77910-014- (4-Bromophenyl) -4-hydroxypiperidine
HY-W0142264,4'-Dihydroxybenzophenone
HY-N90384',4''-Dihydroxyanigorootin
HY-W011927-014,4'-Sulfonyldiphenol
HY-W2697474,4'-Dimethoxyoctafluorobiphenyl

Alternative Products

CatalogName
T88061-01LolCDE-IN-4
T11866-01LolCDE-IN-2
MBS3611556-01LolCDE-IN-1
A22695-5LolCDE-IN-1 5mg
A22695-25LolCDE-IN-1 25mg
A22695-200LolCDE-IN-1 200mg
A22695-100LolCDE-IN-1 100mg
A22695-50LolCDE-IN-1 50mg
A22695-10LolCDE-IN-1 10mg
A22695-1LolCDE-IN-1 1mg

Popular Products