J003-0219 Screening compound: N-(4-bromo-2,5-dimethylphenyl)-2-methyl-5-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}benzene-1-sulfonamide

J003-0219 Screening compound: N-(4-bromo-2,5-dimethylphenyl)-2-methyl-5-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}benzene-1-sulfonamide
J003-0219 Screening compound: N-(4-bromo-2,5-dimethylphenyl)-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 J003-0219
N-(4-bromo-2,5-dimethylphenyl)-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

J003-0219

Molecular Formula

C21H20BrN5O2S (C21 H20 BrN5 O2 S)

Compound Name

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

IUPAC name

N-(4-bromo-25-dimethylphenyl)-2-methyl-5-{3-methyl-[124]triazolo[43-b]pyridazin-6-yl}benzene-1-sulfonamide

SMILES

Cc1nnc(cc2)n1nc2-c1cc(S(Nc(c(C)c2)cc(C)c2Br)(=O)=O)c(C)cc1

InChI

InChI=1S/C21H20BrN5O2S/c1-12-5-6-16(18-7-8-21-24-23-15(4)27(21)25-18)11-20(12)30(28,29)26-19-10-13(2)17(22)9-14(19)3/h5-11,26H,1-4H3

InChI Key

JBGRJNXIRSCAEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15077602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.081

Distribution Coefficient, logD

2.724

Water Solubility, LogSw

-4.20

Polar Surface Area

73.126

Acid Dissociation Constant (pKa)

6.06

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

J003-0219 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J003-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J003-0219?
Check Price and Availability of J003-0219, 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 J003-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J003-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J003-0219
  • 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 J003-0219 available by request