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CXCR2-IN-1

CAT: 0607-BA5298-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5298-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1873376-49-8
Form
A solid
Molecular Formula
C19H20Cl2FN3O4S
Molecular Weight
476.35
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Cxcr2-IN-1
CAS Number1873376-49-8
PubChem CID127020968
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-[4-chloro-2-hydroxy-3-(1-methylpiperidin-4-yl)sulfonylphenyl]urea
Molecular FormulaC19H20Cl2FN3O4S
Molecular Weight476.3
XLogP3.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity702
SMILES
CN1CCC(CC1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=C(C(=CC=C3)F)Cl)Cl
InChI
InChI=1S/C19H20Cl2FN3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-12(20)5-6-15(17(18)26)24-19(27)23-14-4-2-3-13(22)16(14)21/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
InChIKey
BJYOBCUGMDKPBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cxcr2-IN-1
CAS: 1873376-49-8
CID: 127020968
Formula: C19H20Cl2FN3O4S
MW: 476.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.3
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass475.0535609
Monoisotopic Mass475.0535609
Topological Polar Surface Area107 Ų
Heavy Atom Count30
Formal Charge0
Complexity702
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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HY-101022RCXCR2-IN-1 (Standard)
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A12649-10CXCR2-IN-1 10mg
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