D579-0218 Screening compound: 4-{2-[5-(4-methylphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]propanamido}benzamide

D579-0218 Screening compound: 4-{2-[5-(4-methylphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]propanamido}benzamide
D579-0218 Screening compound: 4-{2-[5-(4-methylphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]propanamido}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0218
4-{2-[5-(4-methylphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]propanamido}benzamide

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

D579-0218

Molecular Formula

C20H19N5O3 (C20 H19 N5 O3)

Compound Name

4-{2-[5-(4-methylphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]propanamido}benzamide

IUPAC name

4-{2-[5-(4-methylphenyl)-3-oxo-23-dihydro-124-triazin-2-yl]propanamido}benzamide

SMILES

CC(C(Nc(cc1)ccc1C(N)=O)=O)N1N=CC(c2ccc(C)cc2)=NC1=O

InChI

InChI=1S/C20H19N5O3/c1-12-3-5-14(6-4-12)17-11-22-25(20(28)24-17)13(2)19(27)23-16-9-7-15(8-10-16)18(21)26/h3-11,13H,1-2H3,(H2,21,26)(H,23,27)/t13-/m0/s1

InChI Key

FQPUYRSYDRLIOH-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14859802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.999

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-2.61

Polar Surface Area

93.016

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D579-0218 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D579-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0218?
Check Price and Availability of D579-0218, 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 D579-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0218
  • 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 D579-0218 available by request