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Transketolase-IN-3

CAT: 0931-T74981-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T74981-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2757552-03-5
Target
Others, Transketolase
Related Pathways
Others, Metabolism
Bioactivity
Transketolase-IN-3, a potent inhibitor of transketolase (TK), exhibits herbicidal activity by effectively suppressing Digitaria sanguinalis (DS) and Amaranthus retroflexus (AR) . This compound holds potential for herbicide research applications [1].
Smiles
O=C1C=2C=3C(C(=O)N1C(=O)C4=C(Cl)C=C(C(F)(F)F)C=C4)=CC=CC3C=CC2
Molecular Formula
C20H9ClF3NO3
Molecular Weight
403.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Transketolase-IN-3
CAS Number2757552-03-5
PubChem CID165437256
IUPAC Name2-[2-chloro-4-(trifluoromethyl)benzoyl]benzo[de]isoquinoline-1,3-dione
Molecular FormulaC20H9ClF3NO3
Molecular Weight403.7
XLogP5.1
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity652
SMILES
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C(=O)C4=C(C=C(C=C4)C(F)(F)F)Cl
InChI
InChI=1S/C20H9ClF3NO3/c21-15-9-11(20(22,23)24)7-8-12(15)17(26)25-18(27)13-5-1-3-10-4-2-6-14(16(10)13)19(25)28/h1-9H
InChIKey
MQJOKZYPUSULEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Transketolase-IN-3
CAS: 2757552-03-5
CID: 165437256
Formula: C20H9ClF3NO3
MW: 403.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.7
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass403.0223053
Monoisotopic Mass403.0223053
Topological Polar Surface Area54.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity652
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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Alternative Products

CatalogName
BA8370-25Transketolase-IN-3
337932Transketolase
BA1458-50Transketolase-IN-4
BA8369-25Transketolase-IN-1
HY-163310Transketolase-IN-5
515270Transketolase discontinued
DF13956-01Transketolase Antibody
DF13956-BPTransketolase Peptide
493932TKT (Transketolase)
GTR10448531Human Transketolase

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