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ML283

CAT: 0013-GTR19249513-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249513-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML283 is a small molecule inhibitor targeting the HCV NS3 helicase (IC50 = 2.6 μM) and the Dengue virus ATPase (IC50 = 4.0 μM) . This compound is a useful research tool for studying flaviviral replication mechanisms in biochemical and cell-based antiviral assays.
CAS Number
1403245-31-7
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
O=C (NC1=CC=C (C=C1) C2=NC3=CC=C (C=C3S2) C4=NC=5C=CC (=C (C5S4) S (=O) (=O) O) C) C=6C=CC=C (Cl) C6.N
Molecular Formula
C28H21ClN4O4S3
Molecular Weight
609.139
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Azane;2-[2-[4-[(3-chlorobenzoyl)amino]phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
CAS Number1403245-31-7
PubChem CID176455426
IUPAC Nameazane;2-[2-[4-[(3-chlorobenzoyl)amino]phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
Molecular FormulaC28H21ClN4O4S3
Molecular Weight609.1
Topological Polar Surface Area175
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity991
SMILES
CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)NC(=O)C6=CC(=CC=C6)Cl)S(=O)(=O)O.N
InChI
InChI=1S/C28H18ClN3O4S3.H3N/c1-15-5-11-22-24(25(15)39(34,35)36)38-28(32-22)18-8-12-21-23(14-18)37-27(31-21)16-6-9-20(10-7-16)30-26(33)17-3-2-4-19(29)13-17;/h2-14H,1H3,(H,30,33)(H,34,35,36);1H3
InChIKey
JXTDIVFTXOYANO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azane;2-[2-[4-[(3-chlorobenzoyl)amino]phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
CAS: 1403245-31-7
CID: 176455426
Formula: C28H21ClN4O4S3
MW: 609.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass608.0413464
Monoisotopic Mass608.0413464
Topological Polar Surface Area175 Ų
Heavy Atom Count40
Formal Charge0
Complexity991
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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