J003-0176 Screening compound: 1-(2-METHYL-5-{3-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL}BENZENESULFONYL)PIPERIDINE

J003-0176 Screening compound: 1-(2-METHYL-5-{3-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL}BENZENESULFONYL)PIPERIDINE
J003-0176 Screening compound: 1-(2-METHYL-5-{3-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL}BENZENESULFONYL)PIPERIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound J003-0176
1-(2-METHYL-5-{3-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL}BENZENESULFONYL)PIPERIDINE

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

J003-0176

Molecular Formula

C18H21N5O2S (C18 H21 N5 O2 S)

Compound Name

1-(2-METHYL-5-{3-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL}BENZENESULFONYL)PIPERIDINE

IUPAC name

n/a

SMILES

Cc1nnc(cc2)n1nc2-c1cc(S(N2CCCCC2)(=O)=O)c(C)cc1

InChI

InChI=1S/C18H21N5O2S/c1-13-6-7-15(16-8-9-18-20-19-14(2)23(18)21-16)12-17(13)26(24,25)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3

InChI Key

BHWORSMNAVCNOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.283

Distribution Coefficient, logD

2.283

Water Solubility, LogSw

-2.57

Polar Surface Area

64.885

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

J003-0176 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with J003-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J003-0176?
Check Price and Availability of J003-0176, 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 J003-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J003-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J003-0176
  • 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 J003-0176 available by request