NITD-2

CAT: 0931-T8886-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T8886-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1197896-79-9

Target

DNA/RNA Synthesis, Anti-infection

Related Pathways

Cell Cycle/Checkpoint, Microbiology/Virology, DNA Damage/DNA Repair

Purity

0.9972

Bioactivity

NITD-2 is a dengue virus (DENV) polymerase inhibitor, inhibits the DENV RdRp-mediated RNA elongation. NITD-2 penetrates cell membrane poorly. Dengue virus (DENV) is the most prevalent mosquito- borne viral pathogen in humans. Neither vaccine nor antiviral therapy is currently available for DENV.

Smiles

OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-c1cnn(Cc2ccccc2)c1

Molecular Formula

C23H19N3O4S

Molecular Weight

433.48

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2-((3-(1-Benzyl-1H-pyrazol-4-yl)phenyl)sulfonamido)benzoic acid

CAS Number	1197896-79-9
PubChem CID	44607341
IUPAC Name	2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoic acid
Molecular Formula	C23H19N3O4S
Molecular Weight	433.5
XLogP	4.1
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	31
Formal Charge	0
Complexity	704

SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H19N3O4S/c27-23(28)21-11-4-5-12-22(21)25-31(29,30)20-10-6-9-18(13-20)19-14-24-26(16-19)15-17-7-2-1-3-8-17/h1-14,16,25H,15H2,(H,27,28)

InChIKey

PHQOBFYGHBBCBV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1197896-79-9

CID: 44607341

Formula: C23H19N3O4S

MW: 433.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	433.5
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	433.10962727
Monoisotopic Mass	433.10962727
Topological Polar Surface Area	110 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	704
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T71235-01	NITD-203
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T12231-01	NITD-349
T60774-01	NITD-916
T33683-01	NITD-304
T67880-01	NITD-609 Enantiomer
TN9304-01	2,2,2-Trifluoroacetamide
T37709	2,2,2-Trichloroethanol
T125691-01	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]ethyl bromide
T9894-01	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]ethyl methanesulfonate

Alternative Products

Catalog	Name
GTR19156378-01	NITD-2
MBS3602349-01	NITD-916
M12348	NITD-564
BA1616-1	NITD-688
BA1289-100	NITD-349
HY-18223	NITD-203
HY-W064918	NITD-304

NITD-2

Chemical Information

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