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KT203

CAT: 0607-C3518-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C3518-10Size:10 mg
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Description
ABHD6 inhibitor
CAS Number
1402612-64-9
Product Name Alternative
4'-[1-[[2-(phenylmethyl)-1-piperidinyl]carbonyl]-1H-1,2,3-triazol-4-yl]-[1,1'-biphenyl]-3-carboxylic acid
Sequence
ML-296
Field of Research
Metabolism Hydrolase
Purity
0.98
Form
A crystalline solid
Solubility
≤10mg/ml in DMSO;10mg/ml in dimethyl formamide
Smiles
O=C(N1N=NC(C2=CC=C(C3=CC=CC(C(O)=O)=C3)C=C2)=C1)N4C(CC5=CC=CC=C5)CCCC4
Molecular Formula
C28H26N4O3
Molecular Weight
466.5
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
CGC61264-01KT203
A18783-25KT203 25mg
A18783-10KT203 10mg
A18783-100KT203 100mg
A18783-5KT203 5mg
A18783-50KT203 50mg
A18783-2KT203 2mg
A18783-10mM-DKT203 10mM * 1mL in DMSO

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