D579-0062 Screening compound: N-(naphthalen-1-yl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamide

D579-0062 Screening compound: N-(naphthalen-1-yl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamide
D579-0062 Screening compound: N-(naphthalen-1-yl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0062
N-(naphthalen-1-yl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-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

D579-0062

Molecular Formula

C21H16N4O2 (C21 H16 N4 O2)

Compound Name

N-(naphthalen-1-yl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamide

IUPAC name

N-(naphthalen-1-yl)-2-(3-oxo-5-phenyl-23-dihydro-124-triazin-2-yl)acetamide

SMILES

O=C(CN1N=CC(c2ccccc2)=NC1=O)Nc1cccc2ccccc12

InChI

InChI=1S/C21H16N4O2/c26-20(23-18-12-6-10-15-7-4-5-11-17(15)18)14-25-21(27)24-19(13-22-25)16-8-2-1-3-9-16/h1-13H,14H2,(H,23,26)

InChI Key

QGSPYWYVPITBOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14859743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-3.25

Polar Surface Area

59.241

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D579-0062 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D579-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0062?
Check Price and Availability of D579-0062, 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 D579-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0062
  • 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 D579-0062 available by request