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CDA-IN-4

CAT: 0013-GTR19257677-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257677-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CDA-IN-4 (compound VS-24) is an inhibitor of chitin deacetylase (CDA) . At a concentration of 100 μg/mL, CDA-IN-4 provides a protective effect of 61.2% against rice blast disease.
CAS Number
466656-34-8
Field of Research
Infectious Disease & Virology
Smiles
S=C1NN=CN1N=CC2=CC (Br) =C (O) C (OC) =C2
Molecular Formula
C10H9BrN4O2S
Molecular Weight
329.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4E)-2-bromo-6-methoxy-4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one
CAS Number466656-34-8
PubChem CID135490157
IUPAC Name4-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Molecular FormulaC10H9BrN4O2S
Molecular Weight329.18
XLogP1.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity379
SMILES
COC1=C(C(=CC(=C1)/C=N/N2C=NNC2=S)Br)O
InChI
InChI=1S/C10H9BrN4O2S/c1-17-8-3-6(2-7(11)9(8)16)4-13-15-5-12-14-10(15)18/h2-5,16H,1H3,(H,14,18)/b13-4+
InChIKey
MOXJTJWMELWCKT-YIXHJXPBSA-N
Chemical Structure
2D Structure
2D structure of (4E)-2-bromo-6-methoxy-4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one
CAS: 466656-34-8
CID: 135490157
Formula: C10H9BrN4O2S
MW: 329.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.18
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass327.96296
Monoisotopic Mass327.96296
Topological Polar Surface Area102 Ų
Heavy Atom Count18
Formal Charge0
Complexity379
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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