Products for Research Use Only
RegisterLogin

NS2B/NS3-IN-5

CAT: 0804-HY-144740Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-144740Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
NS2B/NS3-IN-5 (Compound 25b) is an allosteric DENV2 and ZIKV NS2B/NS3 protease inhibitor with IC50 values of 0.67 µM and 4.38 µM against ZIKV and DENV2 NS2B/NS3 proteases, respectively[1].
CAS Number
2910757-21-8
UNSPSC
12352005
Target
Virus Protease
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ns2b-ns3-in-5.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=C(C=C1)I)NC2=NC3=CC(O)=C(C=C3S2)O
Molecular Formula
C14H9IN2O3S
Molecular Weight
412.20
References & Citations
[1]Maus H, et al. SAR of novel benzothiazoles targeting an allosteric pocket of DENV and ZIKV NS2B/NS3 proteases. Bioorg Med Chem. 2021 Oct 1;47:116392.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

NS2B/NS3-IN-5
CAS Number2910757-21-8
PubChem CID163409049
IUPAC NameN-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
Molecular FormulaC14H9IN2O3S
Molecular Weight412.20
XLogP3.5
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity392
SMILES
C1=CC(=CC=C1C(=O)NC2=NC3=CC(=C(C=C3S2)O)O)I
InChI
InChI=1S/C14H9IN2O3S/c15-8-3-1-7(2-4-8)13(20)17-14-16-9-5-10(18)11(19)6-12(9)21-14/h1-6,18-19H,(H,16,17,20)
InChIKey
QOXKUPNKLDBKFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NS2B/NS3-IN-5
CAS: 2910757-21-8
CID: 163409049
Formula: C14H9IN2O3S
MW: 412.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.20
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass411.93786
Monoisotopic Mass411.93786
Topological Polar Surface Area111 Ų
Heavy Atom Count21
Formal Charge0
Complexity392
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

Related Products

CatalogName
HY-179013NS2B/NS3-IN-9
HY-163318-01NS2B/NS3-IN-8
HY-144612-01NS2B/NS3-IN-2
HY-144736NS2B/NS3-IN-4
HY-144644-01NS2B/NS3-IN-3
HY-150600NS2B/NS3-IN-7
HY-144742NS2B/NS3-IN-6
HY-144644A-01NS2B/NS3-IN-3 (hydrochloride)
HY-149640NS2B-NS3pro-IN-2
HY-149639NS2B-NS3pro-IN-1

Alternative Products

CatalogName
T62104-01NS2B/NS3-IN-5
T62932-01NS2B/NS3-IN-2
MBS5803187NS2B/NS3-IN-4
GTR19212624-01NS2B/NS3-IN-7
GTR19234872-01NS2B/NS3-IN-8
MBS5805125NS2B/NS3-IN-6
MBS5803599NS2B/NS3-IN-3
T78653-01NS2B/NS3-IN-3 hydrochloride
0555-001Recombinant Zika Ns2B-Ns3 (S2) protein
MBS604194-01West Nile Virus, NS2b/NS3 Protease (WNV)

Popular Products