Products for Research Use Only
RegisterLogin

Amb929

CAT: 0931-T211135-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T211135-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
438196-25-9
Target
SARS-CoV
Related Pathways
Microbiology/Virology
Bioactivity
Amb929 (ZINC000002782982), an nsp3 ligand, is a drug active against SARS-CoV-2. It inhibits the replication of SARS-CoV-2-mNG in VeroE6 cells with an EC50 value of 34.7 μM. Amb929 exhibits limited to moderate cytotoxicity in VeroE6 cells (CC50: 281 μM) and also suppresses the replication of SARS-CoV-2-mNG in human airway epithelium (HAE) .
Smiles
O=C(OC)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NC=3C=CC=CC32)C=4C=CC=C(OCC(C)C)C4
Molecular Formula
C29H27N3O4S
Molecular Weight
513.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 4-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate
CAS Number438196-25-9
PubChem CID5063249
IUPAC Namemethyl 4-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate
Molecular FormulaC29H27N3O4S
Molecular Weight513.6
XLogP6.6
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity785
SMILES
CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=C(C=C4)C(=O)OC
InChI
InChI=1S/C29H27N3O4S/c1-18(2)17-36-22-8-6-7-20(15-22)26-16-24(23-9-4-5-10-25(23)31-26)27(33)32-29(37)30-21-13-11-19(12-14-21)28(34)35-3/h4-16,18H,17H2,1-3H3,(H2,30,32,33,37)
InChIKey
PKDXMJXZEAJBBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate
CAS: 438196-25-9
CID: 5063249
Formula: C29H27N3O4S
MW: 513.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.6
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass513.17222752
Monoisotopic Mass513.17222752
Topological Polar Surface Area122 Ų
Heavy Atom Count37
Formal Charge0
Complexity785
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
GTR19264390-01Amb929

Popular Products