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CAY10734

CAT: 0013-GTR19189960-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189960-01Size:1 mg
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Description
CAY10734 is a versatile small molecule research tool with applications across diverse life science fields. It is utilized in both in vitro biochemical assays and in vivo studies to investigate cellular pathways and disease models.
CAS Number
635701-59-6
Field of Research
Pharmacology & Drug Discovery
Smiles
CC (C) Cc1ccc (cc1) -c1nc (no1) -c1ccc (CN2CC (C2) C (O) =O) cc1
Molecular Formula
C23H25N3O3
Molecular Weight
391.471
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Merck SIP Agonist
CAS Number635701-59-6
PubChem CID10430549
IUPAC Name1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
Molecular FormulaC23H25N3O3
Molecular Weight391.5
XLogP1.9
Topological Polar Surface Area79.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity535
SMILES
CC(C)CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)CN4CC(C4)C(=O)O
InChI
InChI=1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28)
InChIKey
SHQNRSGKLNMHOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Merck SIP Agonist
CAS: 635701-59-6
CID: 10430549
Formula: C23H25N3O3
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass391.18959167
Monoisotopic Mass391.18959167
Topological Polar Surface Area79.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity535
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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