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DPP-4-PIOL

CAT: 0013-GTR19200343-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200343-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DPP-4-PIOL
CAS Number
439944-69-1
Field of Research
Immunology & Inflammation
Smiles
C (CC (C1=CC=CC=C1) C2=CC=CC=C2) C3=C (ONC3=O) C4CCN (C (OC) =O) CC4
Molecular Formula
C25H28N2O4
Molecular Weight
420.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dpp-4-piol
CAS Number439944-69-1
PubChem CID45260943
IUPAC Name4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
Molecular FormulaC23H27BrN2O2
Molecular Weight443.4
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity508
SMILES
C1CNCCC1C2=C(C(=O)NO2)CCC(C3=CC=CC=C3)C4=CC=CC=C4.Br
InChI
InChI=1S/C23H26N2O2.BrH/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19-20,24H,11-16H2,(H,25,26);1H
InChIKey
WJRPRPJTQCUGEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dpp-4-piol
CAS: 439944-69-1
CID: 45260943
Formula: C23H27BrN2O2
MW: 443.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass442.12559
Monoisotopic Mass442.12559
Topological Polar Surface Area50.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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