Products for Research Use Only

LMD-902

CAT: 0013-GTR19272993-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272993-01Size:10 mg
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Description
LMD-902 is an analog of LMD-009 and acts as a CCR8 agonist with an EC50 of 15 nM. It exhibits excellent binding affinity, which is reliant on crucial residues such as PheVI:16. LMD-902 can be utilized in research for inflammatory conditions like bronchial asthma and central nervous system diseases such as multiple sclerosis.
CAS Number
521979-59-9
Smiles
O=S (=O) (NCC) C1=CC=C (OC) C=C1C2 (O) CCN (CC=3C=CC=C (OC=4C=CC=CC4OC) C3) CC2
Molecular Formula
C28H34N2O6S
Molecular Weight
526.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-ethyl-2-[4-hydroxy-1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-4-methoxybenzenesulfonamide
CAS Number521979-59-9
PubChem CID60016619
IUPAC NameN-ethyl-2-[4-hydroxy-1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-4-methoxybenzenesulfonamide
Molecular FormulaC28H34N2O6S
Molecular Weight526.6
XLogP3.7
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity797
SMILES
CCNS(=O)(=O)C1=C(C=C(C=C1)OC)C2(CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4OC)O
InChI
InChI=1S/C28H34N2O6S/c1-4-29-37(32,33)27-13-12-22(34-2)19-24(27)28(31)14-16-30(17-15-28)20-21-8-7-9-23(18-21)36-26-11-6-5-10-25(26)35-3/h5-13,18-19,29,31H,4,14-17,20H2,1-3H3
InChIKey
LQVDZKAJZHWQQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-ethyl-2-[4-hydroxy-1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-4-methoxybenzenesulfonamide
CAS: 521979-59-9
CID: 60016619
Formula: C28H34N2O6S
MW: 526.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight526.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass526.21375798
Monoisotopic Mass526.21375798
Topological Polar Surface Area106 Ų
Heavy Atom Count37
Formal Charge0
Complexity797
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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