8525-0696 Screening compound: 7-methyl-N-(2-methylphenyl)-2-(pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

8525-0696 Screening compound: 7-methyl-N-(2-methylphenyl)-2-(pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
8525-0696 Screening compound: 7-methyl-N-(2-methylphenyl)-2-(pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8525-0696
7-methyl-N-(2-methylphenyl)-2-(pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-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

8525-0696

Molecular Formula

C19H16N6O (C19 H16 N6 O)

Compound Name

7-methyl-N-(2-methylphenyl)-2-(pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

7-methyl-N-(2-methylphenyl)-2-(pyridin-4-yl)-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

Cc(cccc1)c1NC(c1c(C)n2nc(-c3ccncc3)nc2nc1)=O

InChI

InChI=1S/C19H16N6O/c1-12-5-3-4-6-16(12)22-18(26)15-11-21-19-23-17(24-25(19)13(15)2)14-7-9-20-10-8-14/h3-11H,1-2H3,(H,22,26)

InChI Key

QUWOGYDXKWOWCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08076099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.907

Distribution Coefficient, logD

1.907

Water Solubility, LogSw

-2.15

Polar Surface Area

62.871

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8525-0696 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8525-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8525-0696?
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What is the minimum amount of 8525-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8525-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8525-0696
  • 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 8525-0696 available by request