3335-0119 Screening compound: 3,5-dimethyl-1-(4-nitrobenzenesulfonyl)-4-(phenylsulfanyl)-1H-pyrazole

3335-0119 Screening compound: 3,5-dimethyl-1-(4-nitrobenzenesulfonyl)-4-(phenylsulfanyl)-1H-pyrazole
3335-0119 Screening compound: 3,5-dimethyl-1-(4-nitrobenzenesulfonyl)-4-(phenylsulfanyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0119
3,5-dimethyl-1-(4-nitrobenzenesulfonyl)-4-(phenylsulfanyl)-1H-pyrazole

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

3335-0119

Molecular Formula

C17H15N3O4S2 (C17 H15 N3 O4 S2)

Compound Name

3,5-dimethyl-1-(4-nitrobenzenesulfonyl)-4-(phenylsulfanyl)-1H-pyrazole

IUPAC name

35-dimethyl-1-(4-nitrobenzenesulfonyl)-4-(phenylsulfanyl)-1H-pyrazole

SMILES

Cc(n(nc1C)S(c(cc2)ccc2[N+]([O-])=O)(=O)=O)c1Sc1ccccc1

InChI

InChI=1S/C17H15N3O4S2/c1-12-17(25-15-6-4-3-5-7-15)13(2)19(18-12)26(23,24)16-10-8-14(9-11-16)20(21)22/h3-11H,1-2H3

InChI Key

QWGIQOFCEZDGQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00703947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.85

Polar Surface Area

73.969

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3335-0119 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3335-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0119?
Check Price and Availability of 3335-0119, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3335-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0119
  • 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 3335-0119 available by request