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IW-927

CAT: 0013-GTR19200198-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200198-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IW-927 is a potent and selective small molecule antagonist of the TNFα-TNFR1 interaction. It is a valuable research tool for studying TNF-mediated signaling in both cellular assays and animal models of inflammation and autoimmune diseases.
CAS Number
389142-48-7
Field of Research
Cell Biology
Smiles
S=C1N2C3=C (C=C2C (=O) N1CCCN4CCOCC4) SC (=C3) C5=CC (OC) =CC=C5
Molecular Formula
C22H23N3O3S2
Molecular Weight
441.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 10433428
CAS Number389142-48-7
PubChem CID10433428
IUPAC Name4-(3-methoxyphenyl)-10-(3-morpholin-4-ylpropyl)-11-sulfanylidene-5-thia-1,10-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7-trien-9-one
Molecular FormulaC22H23N3O3S2
Molecular Weight441.6
XLogP3.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity660
SMILES
COC1=CC=CC(=C1)C2=CC3=C(S2)C=C4N3C(=S)N(C4=O)CCCN5CCOCC5
InChI
InChI=1S/C22H23N3O3S2/c1-27-16-5-2-4-15(12-16)19-13-17-20(30-19)14-18-21(26)24(22(29)25(17)18)7-3-6-23-8-10-28-11-9-23/h2,4-5,12-14H,3,6-11H2,1H3
InChIKey
RQGIIRZJMKNCHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 10433428
CAS: 389142-48-7
CID: 10433428
Formula: C22H23N3O3S2
MW: 441.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.6
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass441.11808395
Monoisotopic Mass441.11808395
Topological Polar Surface Area107 Ų
Heavy Atom Count30
Formal Charge0
Complexity660
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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