Products for Research Use Only

KT203

CAT: 0013-GTR19205813-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205813-01Size:5 mg
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Description
KT203 is a potent and selective inhibitor of the alpha/beta-hydrolase domain 6 (ABHD6) enzyme. It is a research tool for studying viral pneumonia and inflammatory responses, with applications in both in vitro biochemical assays and in vivo disease models.
CAS Number
1402612-64-9
Product Name Alternative
ABHD6, ABHD6 in Neuro2A cells, KT203, KT-203, KT 203
Field of Research
Metabolism Research
Purity
98.51% (May vary between batches)
Solubility
DMSO:80 mg/mL (171.48 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (7.07 mM)
Smiles
OC (=O) c1cccc (c1) -c1ccc (cc1) -c1cn (nn1) C (=O) N1CCCCC1Cc1ccccc1
Molecular Formula
C28H26N4O3
Molecular Weight
466.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(4-(1-(2-Benzylpiperidine-1-carbonyl)triazol-4-yl)phenyl)benzoic acid
CAS Number1402612-64-9
PubChem CID53364510
IUPAC Name3-[4-[1-(2-benzylpiperidine-1-carbonyl)triazol-4-yl]phenyl]benzoic acid
Molecular FormulaC28H26N4O3
Molecular Weight466.5
XLogP5.3
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity719
SMILES
C1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC(=CC=C5)C(=O)O
InChI
InChI=1S/C28H26N4O3/c33-27(34)24-10-6-9-23(18-24)21-12-14-22(15-13-21)26-19-32(30-29-26)28(35)31-16-5-4-11-25(31)17-20-7-2-1-3-8-20/h1-3,6-10,12-15,18-19,25H,4-5,11,16-17H2,(H,33,34)
InChIKey
SSSCOJOXPDDHOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-(1-(2-Benzylpiperidine-1-carbonyl)triazol-4-yl)phenyl)benzoic acid
CAS: 1402612-64-9
CID: 53364510
Formula: C28H26N4O3
MW: 466.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight466.5
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass466.20049070
Monoisotopic Mass466.20049070
Topological Polar Surface Area88.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity719
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes