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AZD2423

CAT: 0931-T14373-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T14373-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1229603-37-5
Target
CCR
Related Pathways
Microbiology/Virology, GPCR/G Protein, Immunology/Inflammation
Bioactivity
AZD2423 is a potent, selective, orally bioavailable, and non-competitive CCR2 chemokine receptor negative allosteric modulator with an IC50 of 1.2 nM for CCR2 Ca2+ flux [1][2][3].
Smiles
CC(C)(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(F)c1
Molecular Formula
C20H29ClFN5O2
Molecular Weight
425.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azd2423
CAS Number1229603-37-5
PubChem CID46213922
IUPAC Name4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide
Molecular FormulaC20H29ClFN5O2
Molecular Weight425.9
XLogP1.5
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity594
SMILES
CC(C)(C)N1CCN[C@H](C1)C(=O)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)F
InChI
InChI=1S/C20H29ClFN5O2/c1-20(2,3)27-7-6-23-17(13-27)18(28)25-8-10-26(11-9-25)19(29)24-14-4-5-15(21)16(22)12-14/h4-5,12,17,23H,6-11,13H2,1-3H3,(H,24,29)/t17-/m1/s1
InChIKey
SRWQVWAIVQXPJY-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Azd2423
CAS: 1229603-37-5
CID: 46213922
Formula: C20H29ClFN5O2
MW: 425.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.9
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass425.1993810
Monoisotopic Mass425.1993810
Topological Polar Surface Area67.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity594
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

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