7882-1959 Screening compound: 3,3-diphenyl-N-(4H-1,2,4-triazol-3-yl)propanamide

7882-1959 Screening compound: 3,3-diphenyl-N-(4H-1,2,4-triazol-3-yl)propanamide
7882-1959 Screening compound: 3,3-diphenyl-N-(4H-1,2,4-triazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7882-1959
3,3-diphenyl-N-(4H-1,2,4-triazol-3-yl)propanamide

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

7882-1959

Molecular Formula

C17H16N4O (C17 H16 N4 O)

Compound Name

3,3-diphenyl-N-(4H-1,2,4-triazol-3-yl)propanamide

IUPAC name

33-diphenyl-N-(4H-124-triazol-3-yl)propanamide

SMILES

O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc[nH]1

InChI

InChI=1S/C17H16N4O/c22-16(20-17-18-12-19-21-17)11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H2,18,19,20,21,22)

InChI Key

IOOWKAPRRVOIFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03718649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.954

Distribution Coefficient, logD

1.859

Water Solubility, LogSw

-2.38

Polar Surface Area

59.682

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

7882-1959 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 7882-1959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7882-1959?
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What is the minimum amount of 7882-1959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7882-1959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7882-1959
  • 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 7882-1959 available by request