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LM9

CAT: 0931-T69733-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69733-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2249864-11-5
Target
Others
Related Pathways
Others
Bioactivity
LM9 is a MyD88 inhibitor which prevents atherosclerosis by regulating inflammatory responses and oxidative stress in macrophages.
Smiles
N(C(CCN1CCN(CC2=CC(N(=O)=O)=CC=C2)CC1)=O)C3=NC(=CS3)C4=CC(OC)=C(O)C=C4
Molecular Formula
C24H27N5O5S
Molecular Weight
497.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]propanamide
CAS Number2249864-11-5
PubChem CID154638944
IUPAC NameN-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]propanamide
Molecular FormulaC24H27N5O5S
Molecular Weight497.6
XLogP2.8
Topological Polar Surface Area152
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity704
SMILES
COC1=C(C=CC(=C1)C2=CSC(=N2)NC(=O)CCN3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-])O
InChI
InChI=1S/C24H27N5O5S/c1-34-22-14-18(5-6-21(22)30)20-16-35-24(25-20)26-23(31)7-8-27-9-11-28(12-10-27)15-17-3-2-4-19(13-17)29(32)33/h2-6,13-14,16,30H,7-12,15H2,1H3,(H,25,26,31)
InChIKey
UBQIVARJJWYNRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]propanamide
CAS: 2249864-11-5
CID: 154638944
Formula: C24H27N5O5S
MW: 497.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.6
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass497.17329015
Monoisotopic Mass497.17329015
Topological Polar Surface Area152 Ų
Heavy Atom Count35
Formal Charge0
Complexity704
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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