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HS-243

CAT: 0931-T60012-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60012-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
848249-10-5
Target
CDK, MAPK, IRAK
Related Pathways
NF-κB, Cell Cycle/Checkpoint, Immunology/Inflammation, MAPK
Purity
0.9862
Bioactivity
HS-243 is an inhibitor of IRAK-4 and IRAK-1 with IC50s of 20 and 24 nM. HS-243 shows anti-inflammatory and anticancer activity.
Smiles
CCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
Molecular Formula
C17H16N4O3
Molecular Weight
324.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-nitro-N-(1-propylbenzimidazol-2-yl)benzamide
CAS Number848249-10-5
PubChem CID4800865
IUPAC Name3-nitro-N-(1-propylbenzimidazol-2-yl)benzamide
Molecular FormulaC17H16N4O3
Molecular Weight324.33
XLogP3.3
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity467
SMILES
CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H16N4O3/c1-2-10-20-15-9-4-3-8-14(15)18-17(20)19-16(22)12-6-5-7-13(11-12)21(23)24/h3-9,11H,2,10H2,1H3,(H,18,19,22)
InChIKey
JLLIANWHDQWCMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-nitro-N-(1-propylbenzimidazol-2-yl)benzamide
CAS: 848249-10-5
CID: 4800865
Formula: C17H16N4O3
MW: 324.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.33
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass324.12224039
Monoisotopic Mass324.12224039
Topological Polar Surface Area92.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity467
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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MBS3617031-01HS-243
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A22071-50HS-243 50mg
A22071-1HS-243 1mg
A22071-10HS-243 10mg
A22071-25HS-243 25mg
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