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MurA-IN-2

CAT: 0931-T60299-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60299-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2164447-18-9
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
MurA-IN-2 (compound 37), a potent MurA inhibitor featuring a chloroacetamide fragment with a primary aliphatic amine, exhibits antibacterial activity by inhibiting bacterial cell wall synthesis, with an IC50 of 39 μM [1].
Smiles
N(C(CCl)=O)C1C2C(CCC1)CCCC2
Molecular Formula
C12H20ClNO
Molecular Weight
229.75
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MurA-IN-2
CAS Number2164447-18-9
PubChem CID165412611
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-chloroacetamide
Molecular FormulaC12H20ClNO
Molecular Weight229.74
XLogP3.5
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity232
SMILES
C1CCC2C(C1)CCCC2NC(=O)CCl
InChI
InChI=1S/C12H20ClNO/c13-8-12(15)14-11-7-3-5-9-4-1-2-6-10(9)11/h9-11H,1-8H2,(H,14,15)
InChIKey
ZYTMYJLOPMTHHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MurA-IN-2
CAS: 2164447-18-9
CID: 165412611
Formula: C12H20ClNO
MW: 229.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.74
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass229.1233420
Monoisotopic Mass229.1233420
Topological Polar Surface Area29.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity232
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19188178-01MurA-IN-2
HY-173254MurA-IN-6
GTR19212237-01MurA-IN-3
GTR19191783-01MurA-IN-1
GTR17985454MurA Antibody
MBS5819880MurA-IN-4
HY-172132MurA-IN-5
HY-180511-01MurA-IN-7

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