J052-1827 Screening compound: N-(2-hydroxy-6-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

J052-1827 Screening compound: N-(2-hydroxy-6-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
J052-1827 Screening compound: N-(2-hydroxy-6-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J052-1827
N-(2-hydroxy-6-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-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

J052-1827

Molecular Formula

C21H18N4O3 (C21 H18 N4 O3)

Compound Name

N-(2-hydroxy-6-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

IUPAC name

N-(2-hydroxy-6-methylphenyl)-3-(2-methoxyphenyl)-[124]triazolo[43-a]pyridine-8-carboxamide

SMILES

Cc1cccc(O)c1NC(c1cccn2c(-c(cccc3)c3OC)nnc12)=O

InChI

InChI=1S/C21H18N4O3/c1-13-7-5-10-16(26)18(13)22-21(27)15-9-6-12-25-19(23-24-20(15)25)14-8-3-4-11-17(14)28-2/h3-12,26H,1-2H3,(H,22,27)

InChI Key

FTKKYWNPTMHELX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.301

Distribution Coefficient, logD

2.291

Water Solubility, LogSw

-2.77

Polar Surface Area

67.998

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

J052-1827 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J052-1827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J052-1827?
Check Price and Availability of J052-1827, 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 J052-1827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J052-1827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J052-1827
  • 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 J052-1827 available by request