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OD38

CAT: 0013-GTR19209655-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209655-03Size:100 mg
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Description
OD38 is a novel, potent, and selective small molecule inhibitor of RIPK2 (Receptor-Interacting Protein Kinase 2) . This compound is a valuable research tool for investigating NOD1/NOD2 signaling pathways in both cellular and animal models of inflammatory and autoimmune diseases.
CAS Number
1638644-63-9
Smiles
N12C=3C4=CC (NC=C4) =NCCOCCN=C (N1) C=CC2=NC3
Molecular Formula
C15H16N6O
Molecular Weight
296.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

10-Oxa-5,7,13,17,18,21-hexazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
CAS Number1638644-63-9
PubChem CID169444997
IUPAC Name10-oxa-5,7,13,17,18,21-hexazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
Molecular FormulaC15H16N6O
Molecular Weight296.33
XLogP1.1
Topological Polar Surface Area76.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity453
SMILES
C1COCCNC2=NC=CC(=C2)C3=C4N=C(N1)C=CN4N=C3
InChI
InChI=1S/C15H16N6O/c1-3-16-14-9-11(1)12-10-19-21-6-2-13(20-15(12)21)17-4-7-22-8-5-18-14/h1-3,6,9-10H,4-5,7-8H2,(H,16,18)(H,17,20)
InChIKey
RVIXRYHDRVNLRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10-Oxa-5,7,13,17,18,21-hexazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
CAS: 1638644-63-9
CID: 169444997
Formula: C15H16N6O
MW: 296.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.33
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass296.13855916
Monoisotopic Mass296.13855916
Topological Polar Surface Area76.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity453
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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