D419-0191 Screening compound: 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide

D419-0191 Screening compound: 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
D419-0191 Screening compound: 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0191
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide

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

D419-0191

Molecular Formula

C22H19N5OS (C22 H19 N5 OS)

Compound Name

2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide

IUPAC name

2-{[5-(4-methylphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide

SMILES

Cc(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(Nc1ncccc1)=O

InChI

InChI=1S/C22H19N5OS/c1-16-10-12-17(13-11-16)21-25-26-22(27(21)18-7-3-2-4-8-18)29-15-20(28)24-19-9-5-6-14-23-19/h2-14H,15H2,1H3,(H,23,24,28)

InChI Key

QZWPSRJCLPZKCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01431682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.421

Distribution Coefficient, logD

4.420

Water Solubility, LogSw

-4.30

Polar Surface Area

57.477

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D419-0191 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with D419-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0191?
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What is the minimum amount of D419-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0191
  • 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 D419-0191 available by request