D579-0696 Screening compound: N-(2,5-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]acetamide

D579-0696 Screening compound: N-(2,5-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]acetamide
D579-0696 Screening compound: N-(2,5-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0696
N-(2,5-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-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

D579-0696

Molecular Formula

C18H14F2N4O3 (C18 H14 F2 N4 O3)

Compound Name

N-(2,5-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]acetamide

IUPAC name

N-(25-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-23-dihydro-124-triazin-2-yl]acetamide

SMILES

COc(cc1)ccc1C(C=NN1CC(Nc(cc(cc2)F)c2F)=O)=NC1=O

InChI

InChI=1S/C18H14F2N4O3/c1-27-13-5-2-11(3-6-13)16-9-21-24(18(26)23-16)10-17(25)22-15-8-12(19)4-7-14(15)20/h2-9H,10H2,1H3,(H,22,25)

InChI Key

DSCVCBCIJPLSHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.769

Distribution Coefficient, logD

2.762

Water Solubility, LogSw

-3.26

Polar Surface Area

67.057

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D579-0696 in Drug Discovery

Included in Screening Libraries

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 D579-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0696?
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What is the minimum amount of D579-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0696
  • 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 D579-0696 available by request