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ST 016907

CAT: 1410-M14083Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M14083Size:1 Each
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Description
A potent CCR4 antagonist that blocked CCL22- and CCL17-mediated migration of human peripheral blood CD4+CD25+ Treg and Th2 cells ex-vivo and murine Tregs in-vivo.
CAS Number
329071-59-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
636.555
Molecular Formula
C24H15Cl2N5O4S4
Notes
Research use only, not for human use.
Receptor
Chemokine Receptor

Chemical Information

N-(2,6-Dichlorophenyl)-2-((6-(2-((6-nitrobenzo[d]thiazol-2-yl)thio)acetamido)benzo[d]thiazol-2-yl)thio)acetamide
CAS Number329071-59-2
PubChem CID3638408
IUPAC NameN-[2-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Molecular FormulaC24H15Cl2N5O4S4
Molecular Weight636.6
XLogP7.4
Topological Polar Surface Area237
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity897
SMILES
C1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl
InChI
InChI=1S/C24H15Cl2N5O4S4/c25-14-2-1-3-15(26)22(14)30-21(33)11-37-23-28-16-6-4-12(8-18(16)38-23)27-20(32)10-36-24-29-17-7-5-13(31(34)35)9-19(17)39-24/h1-9H,10-11H2,(H,27,32)(H,30,33)
InChIKey
PRBNTMWMUWVONG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,6-Dichlorophenyl)-2-((6-(2-((6-nitrobenzo[d]thiazol-2-yl)thio)acetamido)benzo[d]thiazol-2-yl)thio)acetamide
CAS: 329071-59-2
CID: 3638408
Formula: C24H15Cl2N5O4S4
MW: 636.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight636.6
XLogP37.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass634.9383941
Monoisotopic Mass634.9383941
Topological Polar Surface Area237 Ų
Heavy Atom Count39
Formal Charge0
Complexity897
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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