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Emlenoflast

CAT: 0931-T9222-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T9222-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1995067-59-8
Target
NOD, NOD-like Receptor (NLR)
Related Pathways
NF-κB, Immunology/Inflammation
Purity
0.9943
Bioactivity
Emlenoflast (MCC7840) is a selective inhibitor of NLRP3 inflammasome.
Smiles
N(C(NS(=O)(=O)C1=NN(C(C)C)C=C1)=O)C2=C3C(=CC4=C2CCC4)CCC3
Molecular Formula
C19H24N4O3S
Molecular Weight
388.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Emlenoflast
CAS Number1995067-59-8
PubChem CID122480653
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
Molecular FormulaC19H24N4O3S
Molecular Weight388.5
XLogP3.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity642
SMILES
CC(C)N1C=CC(=N1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C19H24N4O3S/c1-12(2)23-10-9-17(21-23)27(25,26)22-19(24)20-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h9-12H,3-8H2,1-2H3,(H2,20,22,24)
InChIKey
MTOUOUSKXWSTAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Emlenoflast
CAS: 1995067-59-8
CID: 122480653
Formula: C19H24N4O3S
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass388.15691181
Monoisotopic Mass388.15691181
Topological Polar Surface Area101 Ų
Heavy Atom Count27
Formal Charge0
Complexity642
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

Alternative Products

CatalogName
GTR19165697-01Emlenoflast
HY-137245A-01Emlenoflast (sodium)
GTR19183603-01Emlenoflast sodium
C01548-01Emlenoflast (MCC-7840)
GTR19178128-01Emlenoflast sodium (MCC7840 sodium)

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