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CCR3 antagonist 1

CAT: 1410-M32754-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M32754-01Size:5 mg
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Description
CCR3 antagonist 1 is a potent CCR3 antagonist used in researching inflammatory and immunologic diseases.
CAS Number
879399-82-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
490.42
Molecular Formula
C19H21Cl2N3O4S2
Notes
Research use only, not for human use.
Receptor
CCR

Chemical Information

CCR3 antagonist 1
CAS Number879399-82-3
PubChem CID11684581
IUPAC Name2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
Molecular FormulaC19H21Cl2N3O4S2
Molecular Weight490.4
XLogP0.8
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity592
SMILES
C1CO[C@H](CN1CC2=CC(=C(C=C2)Cl)Cl)CNC(=O)CSC3=NC(=CS3)CC(=O)O
InChI
InChI=1S/C19H21Cl2N3O4S2/c20-15-2-1-12(5-16(15)21)8-24-3-4-28-14(9-24)7-22-17(25)11-30-19-23-13(10-29-19)6-18(26)27/h1-2,5,10,14H,3-4,6-9,11H2,(H,22,25)(H,26,27)/t14-/m0/s1
InChIKey
QBXNXHODSIQDRT-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of CCR3 antagonist 1
CAS: 879399-82-3
CID: 11684581
Formula: C19H21Cl2N3O4S2
MW: 490.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight490.4
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass489.0350539
Monoisotopic Mass489.0350539
Topological Polar Surface Area145 Ų
Heavy Atom Count30
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes