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DHDPS-IN-1

CAT: 0013-GTR19187856-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187856-02Size:50 mg
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Description
DHDPS-IN-1 (compound 8) is a small molecule inhibitor of dihydrodipicolinate synthase (DHDPS) with an IC50 of 39 μM. This compound serves as a research tool for studying bacterial lysine biosynthesis and has potential applications in developing antibacterial and herbicidal agents.
CAS Number
1233344-34-7
Field of Research
Infectious Disease & Virology
Smiles
C (=C\1/C (=O) N (CC (O) =O) C (=O) S1) \C2=CC=C (OC) C=C2
Molecular Formula
C13H11NO5S
Molecular Weight
293.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dhdps-IN-1
CAS Number1233344-34-7
PubChem CID1539586
IUPAC Name2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
Molecular FormulaC13H11NO5S
Molecular Weight293.30
XLogP1.9
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity454
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)O
InChI
InChI=1S/C13H11NO5S/c1-19-9-4-2-8(3-5-9)6-10-12(17)14(7-11(15)16)13(18)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6-
InChIKey
VMHLNIJHJPIPKG-POHAHGRESA-N
Chemical Structure
2D Structure
2D structure of Dhdps-IN-1
CAS: 1233344-34-7
CID: 1539586
Formula: C13H11NO5S
MW: 293.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.30
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass293.03579362
Monoisotopic Mass293.03579362
Topological Polar Surface Area109 Ų
Heavy Atom Count20
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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