J003-0177 Screening compound: N-(4-ETHOXYPHENYL)-2-METHYL-5-(3-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL)-1-BENZENESULFONAMIDE

J003-0177 Screening compound: N-(4-ETHOXYPHENYL)-2-METHYL-5-(3-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL)-1-BENZENESULFONAMIDE
J003-0177 Screening compound: N-(4-ETHOXYPHENYL)-2-METHYL-5-(3-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL)-1-BENZENESULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound J003-0177
N-(4-ETHOXYPHENYL)-2-METHYL-5-(3-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL)-1-BENZENESULFONAMIDE

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

J003-0177

Molecular Formula

C21H21N5O3S (C21 H21 N5 O3 S)

Compound Name

N-(4-ETHOXYPHENYL)-2-METHYL-5-(3-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL)-1-BENZENESULFONAMIDE

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1NS(c1c(C)ccc(-c(cc2)nn3c2nnc3C)c1)(=O)=O

InChI

InChI=1S/C21H21N5O3S/c1-4-29-18-9-7-17(8-10-18)25-30(27,28)20-13-16(6-5-14(20)2)19-11-12-21-23-22-15(3)26(21)24-19/h5-13,25H,4H2,1-3H3

InChI Key

AZIHSZJSKZYGPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.49

Polar Surface Area

80.947

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

J003-0177 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Targeted Diversity Library (40567 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Nervous system
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with J003-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J003-0177?
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What is the minimum amount of J003-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J003-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J003-0177
  • 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 J003-0177 available by request