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NQ301

CAT: 0931-T3757-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T3757-02Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
130089-98-4
Target
Platelet aggregation, Thrombin
Related Pathways
Proteases/Proteasome, Others
Purity
0.9981
Bioactivity
NQ301, an antithrombotic agent, inhibits collagen-challenged rabbit platelet aggregation (IC50: 10 mg/mL) .
Smiles
CC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1
Molecular Formula
C18H12ClNO3
Molecular Weight
325.75
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione
CAS Number130089-98-4
PubChem CID781109
IUPAC Name2-(4-acetylanilino)-3-chloronaphthalene-1,4-dione
Molecular FormulaC18H12ClNO3
Molecular Weight325.7
XLogP2.9
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity561
SMILES
CC(=O)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl
InChI
InChI=1S/C18H12ClNO3/c1-10(21)11-6-8-12(9-7-11)20-16-15(19)17(22)13-4-2-3-5-14(13)18(16)23/h2-9,20H,1H3
InChIKey
LSQZKIQSQHZVQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione
CAS: 130089-98-4
CID: 781109
Formula: C18H12ClNO3
MW: 325.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.7
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass325.0505709
Monoisotopic Mass325.0505709
Topological Polar Surface Area63.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity561
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
MBS3607235-01NQ301
A12289-50NQ301 50mg
A12289-500NQ301 500mg
A12289-100NQ301 100mg
A12289-5NQ301 5mg
A12289-25NQ301 25mg
A12289-10NQ301 10mg
A12289-10mM-DNQ301 10mM * 1mL in DMSO

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