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HS220

CAT: 0931-T60011-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T60011-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1570374-32-1
Target
MAPK
Related Pathways
MAPK
Purity
0.9998
Bioactivity
HS220 is an inhibitor of TAK1 which plays a key role in the signaling pathways of inflammation and cell survival.
Smiles
CCCn1c(NC(=O)c2cccc(c2)C(O)=O)nc2ccccc12
Molecular Formula
C18H17N3O3
Molecular Weight
323.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tak1-IN-4
CAS Number1570374-32-1
PubChem CID137796976
IUPAC Name3-[(1-propylbenzimidazol-2-yl)carbamoyl]benzoic acid
Molecular FormulaC18H17N3O3
Molecular Weight323.3
XLogP3
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity470
SMILES
CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=CC=C3)C(=O)O
InChI
InChI=1S/C18H17N3O3/c1-2-10-21-15-9-4-3-8-14(15)19-18(21)20-16(22)12-6-5-7-13(11-12)17(23)24/h3-9,11H,2,10H2,1H3,(H,23,24)(H,19,20,22)
InChIKey
OWYWEJQTFNMMSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tak1-IN-4
CAS: 1570374-32-1
CID: 137796976
Formula: C18H17N3O3
MW: 323.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.3
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass323.12699141
Monoisotopic Mass323.12699141
Topological Polar Surface Area84.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity470
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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