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EcDsbB-IN-9

CAT: 0013-GTR19157022-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19157022-04Size:1 g
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Description
EcDsbB-IN-9 is a specific EcDsbB inhibitor, targeting disulfide bond forming enzyme DsbB of Gram-negative bacteria.
CAS Number
41933-33-9
Purity
>98% (HPLC)
Smiles
Clc1cnn (Cc2ccccc2) c (=O) c1Cl
Molecular Formula
C11H8Cl2N2O
Molecular Weight
255.1
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one
CAS Number41933-33-9
PubChem CID722438
IUPAC Name2-benzyl-4,5-dichloropyridazin-3-one
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10
XLogP2.6
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity346
SMILES
C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)Cl)Cl
InChI
InChI=1S/C11H8Cl2N2O/c12-9-6-14-15(11(16)10(9)13)7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
AJHBQZQCDCTOFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one
CAS: 41933-33-9
CID: 722438
Formula: C11H8Cl2N2O
MW: 255.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.10
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass254.0013683
Monoisotopic Mass254.0013683
Topological Polar Surface Area32.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity346
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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