J003-0190 Screening compound: N-benzyl-2-methyl-5-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}benzene-1-sulfonamide

J003-0190 Screening compound: N-benzyl-2-methyl-5-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}benzene-1-sulfonamide
J003-0190 Screening compound: N-benzyl-2-methyl-5-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J003-0190
N-benzyl-2-methyl-5-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}benzene-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

J003-0190

Molecular Formula

C20H19N5O2S (C20 H19 N5 O2 S)

Compound Name

N-benzyl-2-methyl-5-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}benzene-1-sulfonamide

IUPAC name

N-benzyl-2-methyl-5-{3-methyl-[124]triazolo[43-b]pyridazin-6-yl}benzene-1-sulfonamide

SMILES

Cc1nnc(cc2)n1nc2-c1cc(S(NCc2ccccc2)(=O)=O)c(C)cc1

InChI

InChI=1S/C20H19N5O2S/c1-14-8-9-17(18-10-11-20-23-22-15(2)25(20)24-18)12-19(14)28(26,27)21-13-16-6-4-3-5-7-16/h3-12,21H,13H2,1-2H3

InChI Key

NKQIDMYRKOEIOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15077597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.862

Distribution Coefficient, logD

2.859

Water Solubility, LogSw

-3.33

Polar Surface Area

74.932

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

J003-0190 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J003-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J003-0190?
Check Price and Availability of J003-0190, 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 J003-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J003-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J003-0190
  • 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 J003-0190 available by request