3084-0113 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-nitrobenzene-1-sulfonamide

3084-0113 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-nitrobenzene-1-sulfonamide
3084-0113 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3084-0113
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-nitrobenzene-1-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3084-0113

Molecular Formula

C17H16N4O5S (C17 H16 N4 O5 S)

Compound Name

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-nitrobenzene-1-sulfonamide

IUPAC name

N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-4-nitrobenzene-1-sulfonamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NS(c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C17H16N4O5S/c1-12-16(17(22)20(19(12)2)13-6-4-3-5-7-13)18-27(25,26)15-10-8-14(9-11-15)21(23)24/h3-11,18H,1-2H3

InChI Key

TURULNZXHFFPHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00621704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.406

Distribution Coefficient, logD

-4.519

Water Solubility, LogSw

-2.41

Polar Surface Area

94.651

Acid Dissociation Constant (pKa)

1.47

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3084-0113 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3084-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3084-0113?
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What is the minimum amount of 3084-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3084-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3084-0113
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3084-0113 available by request