D579-0500 Screening compound: 2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(3-cyanophenyl)butanamide

D579-0500 Screening compound: 2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(3-cyanophenyl)butanamide
D579-0500 Screening compound: 2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(3-cyanophenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0500
2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(3-cyanophenyl)butanamide

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

D579-0500

Molecular Formula

C20H16ClN5O2 (C20 H16 ClN5 O2)

Compound Name

2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(3-cyanophenyl)butanamide

IUPAC name

2-[5-(4-chlorophenyl)-3-oxo-23-dihydro-124-triazin-2-yl]-N-(3-cyanophenyl)butanamide

SMILES

CCC(C(Nc1cc(C#N)ccc1)=O)N1N=CC(c(cc2)ccc2Cl)=NC1=O

InChI

InChI=1S/C20H16ClN5O2/c1-2-18(19(27)24-16-5-3-4-13(10-16)11-22)26-20(28)25-17(12-23-26)14-6-8-15(21)9-7-14/h3-10,12,18H,2H2,1H3,(H,24,27)/t18-/m0/s1

InChI Key

HRNBLELTDKANMJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14859843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.071

Distribution Coefficient, logD

4.070

Water Solubility, LogSw

-4.39

Polar Surface Area

75.598

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D579-0500 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

C-Met Library (15277 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D579-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0500?
Check Price and Availability of D579-0500, 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 D579-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0500
  • 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 D579-0500 available by request