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JMS-17-2

CAT: 1568-C07018-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C07018-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1380392-05-1
SKU
C07018-5mg
Target
GPR
Applications
GPCR & G Protein
Smiles
C1CN (CCC1C2=CC=C (C=C2) Cl) CCCN3C4=CC=CC=C4N5C=CC=C5C3=O
Molecular Formula
C25H26ClN3O
Additionnal Information
JMS-17-2 is a potent and selective small-molecule antagonist of CX3C chemokine receptor 1 (CX3CR1/GPR13) with IC50 of 0.32 nM. JMS-17-2 is used in the research of metastatic disease in breast cancer patients.
Storage Conditions
3 years -20°C powder

Chemical Information

5-(3-(4-(4-chlorophenyl)piperidin-1-yl)propyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CAS Number1380392-05-1
PubChem CID57382073
IUPAC Name5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-one
Molecular FormulaC25H26ClN3O
Molecular Weight419.9
XLogP5
Topological Polar Surface Area28.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity585
SMILES
C1CN(CCC1C2=CC=C(C=C2)Cl)CCCN3C4=CC=CC=C4N5C=CC=C5C3=O
InChI
InChI=1S/C25H26ClN3O/c26-21-10-8-19(9-11-21)20-12-17-27(18-13-20)14-4-16-29-23-6-2-1-5-22(23)28-15-3-7-24(28)25(29)30/h1-3,5-11,15,20H,4,12-14,16-18H2
InChIKey
WOSMCMULWWHMIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3-(4-(4-chlorophenyl)piperidin-1-yl)propyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CAS: 1380392-05-1
CID: 57382073
Formula: C25H26ClN3O
MW: 419.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.9
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass419.1764402
Monoisotopic Mass419.1764402
Topological Polar Surface Area28.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity585
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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Alternative Products

CatalogName
S0135-01JMS-17-2
HY-123918AJMS-17-2 (hydrochloride)
A19100-25JMS-17-2 25mg
MBS5800262JMS-17-2 hydrochloride
A19100-10JMS-17-2 10mg
6378/50JMS 17-2 hydrochloride
A19100-2JMS-17-2 2mg
A19100-1JMS-17-2 1mg
A19100-100JMS-17-2 100mg
A19100-50JMS-17-2 50mg

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