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Antitubercular agent-30

CAT: 0013-GTR19166788-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166788-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Antitubercular agent-30 is a small molecule compound exhibiting activity against Mycobacterium tuberculosis. It is a research tool for studying tuberculosis in both in vitro assays and in vivo animal models to investigate novel therapeutic mechanisms.
CAS Number
384857-54-9
Product Name Alternative
Antitubercular agent-30, WAY297407, WAY 297407
Field of Research
Infectious Disease & Virology
Purity
99.15% (May vary between batches)
Solubility
DMSO:50 mg/mL (190.64 mM) ;10% DMSO+90% Saline:2.5 mg/mL (9.53 mM)
Smiles
N (C (CC1=CC=CS1) =O) C2=CC=C (N (=O) =O) C=C2
Molecular Formula
C12H10N2O3S
Molecular Weight
262.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-nitrophenyl)-2-(thiophen-2-yl)acetamide
CAS Number384857-54-9
PubChem CID2970898
IUPAC NameN-(4-nitrophenyl)-2-thiophen-2-ylacetamide
Molecular FormulaC12H10N2O3S
Molecular Weight262.29
XLogP2.2
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity311
SMILES
C1=CSC(=C1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O3S/c15-12(8-11-2-1-7-18-11)13-9-3-5-10(6-4-9)14(16)17/h1-7H,8H2,(H,13,15)
InChIKey
BOASBEGFXYCEPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-nitrophenyl)-2-(thiophen-2-yl)acetamide
CAS: 384857-54-9
CID: 2970898
Formula: C12H10N2O3S
MW: 262.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.29
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass262.04121336
Monoisotopic Mass262.04121336
Topological Polar Surface Area103 Ų
Heavy Atom Count18
Formal Charge0
Complexity311
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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