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MAC13243

CAT: 0804-HY-14456A-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-14456A-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MAC13243, an antibacterial agent, is an inhibitor of bacterial lipoprotein targeting chaperone, LolA. MAC13243 is an antibacterial agent with Gram-negative selectivity[1][2].
CAS Number
1071638-38-4
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/MAC13243.html
Purity
98.0
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
ClC1=CC=C(CSC2=NCN(CCC3=CC(OC)=C(OC)C=C3)CN2)C=C1.Cl
Molecular Formula
C20H25Cl2N3O2S
Molecular Weight
442.40
References & Citations
[1]Barker CA, et al. Degradation of MAC13243 and studies of the interaction of resulting thiourea compounds with the lipoprotein targeting chaperone LolA. Bioorg Med Chem Lett. 2013 Apr 15;23 (8) :2426-31.|[2]Pathania R, et al. Chemical genomics in Escherichia coli identifies an inhibitor of bacterial lipoprotein targeting. Nat Chem Biol. 2009 Nov;5 (11) :849-56.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Mac13243

an inhibitor of the periplasmic chaperone LolA

CAS Number1071638-38-4
PubChem CID2806781
IUPAC Name6-[(4-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;hydrochloride
Molecular FormulaC20H25Cl2N3O2S
Molecular Weight442.4
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity474
SMILES
COC1=C(C=C(C=C1)CCN2CNC(=NC2)SCC3=CC=C(C=C3)Cl)OC.Cl
InChI
InChI=1S/C20H24ClN3O2S.ClH/c1-25-18-8-5-15(11-19(18)26-2)9-10-24-13-22-20(23-14-24)27-12-16-3-6-17(21)7-4-16;/h3-8,11H,9-10,12-14H2,1-2H3,(H,22,23);1H
InChIKey
VCJIDISBDZWDOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mac13243
CAS: 1071638-38-4
CID: 2806781
Formula: C20H25Cl2N3O2S
MW: 442.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass441.1044536
Monoisotopic Mass441.1044536
Topological Polar Surface Area71.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3846366-01MAC13243
A21943-100MAC13243 100mg
A21943-50MAC13243 50mg
A21943-1MAC13243 1mg
T15947-01MAC13243 HCl
A21943-500MAC13243 500mg
A21943-10MAC13243 10mg
A21943-25MAC13243 25mg
A21943-5MAC13243 5mg
A21943-10mM-DMAC13243 10mM * 1mL in DMSO

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