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NIBR189

CAT: 1568-C07054-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C07054-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1599432-08-2
SKU
C07054-5mg
Target
GPR
Applications
GPCR & G Protein
Smiles
COC1=CC=C (C=C1) C (=O) N2CCN (CC2) C (=O) C=CC3=CC=C (C=C3) Br
Molecular Formula
C21H21BrN2O3
Additionnal Information
NIBR189 is a potent antagonist of the Epstein-Barr virus-induced gene 2 (EBI2, GPR183) receptor with IC50 of 16 nM for binding and 11 nM for function, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

(E)-3-(4-bromophenyl)-1-(4-(4-methoxybenzoyl)piperazin-1-yl)prop-2-en-1-one

GPR183 agonist

CAS Number1599432-08-2
PubChem CID36295259
IUPAC Name(E)-3-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
Molecular FormulaC21H21BrN2O3
Molecular Weight429.3
XLogP3.4
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity530
SMILES
COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)Br
InChI
InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
InChIKey
OFHXXBRBGWUOHR-NYYWCZLTSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-(4-bromophenyl)-1-(4-(4-methoxybenzoyl)piperazin-1-yl)prop-2-en-1-one
CAS: 1599432-08-2
CID: 36295259
Formula: C21H21BrN2O3
MW: 429.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.3
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass428.07356
Monoisotopic Mass428.07356
Topological Polar Surface Area49.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity530
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19157370-01NIBR189
A15775-25NIBR189 25mg
A15775-5NIBR189 5mg
A15775-1NIBR189 1mg
A15775-100NIBR189 100mg
A15775-10NIBR189 10mg
A15775-50NIBR189 50mg
A15775-10mM-DNIBR189 10mM * 1mL in DMSO

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