J016-0189 Screening compound: 3-chloro-N-(2,5-dimethoxyphenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide

J016-0189 Screening compound: 3-chloro-N-(2,5-dimethoxyphenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
J016-0189 Screening compound: 3-chloro-N-(2,5-dimethoxyphenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J016-0189
3-chloro-N-(2,5-dimethoxyphenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide

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

J016-0189

Molecular Formula

C16H14ClN5O3 (C16 H14 ClN5 O3)

Compound Name

3-chloro-N-(2,5-dimethoxyphenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide

IUPAC name

3-chloro-N-(25-dimethoxyphenyl)-6-(4H-124-triazol-4-yl)pyridine-2-carboxamide

SMILES

COc(cc1)cc(NC(c(nc(cc2)-n3cnnc3)c2Cl)=O)c1OC

InChI

InChI=1S/C16H14ClN5O3/c1-24-10-3-5-13(25-2)12(7-10)20-16(23)15-11(17)4-6-14(21-15)22-8-18-19-9-22/h3-9H,1-2H3,(H,20,23)

InChI Key

PHAVTOPYFLNKNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27217895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.452

Distribution Coefficient, logD

2.315

Water Solubility, LogSw

-3.40

Polar Surface Area

72.688

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

J016-0189 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with J016-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J016-0189?
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What is the minimum amount of J016-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J016-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J016-0189
  • 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 J016-0189 available by request