D579-0540 Screening compound: methyl 4-{2-[5-(3-methoxyphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]acetamido}benzoate

D579-0540 Screening compound: methyl 4-{2-[5-(3-methoxyphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]acetamido}benzoate
D579-0540 Screening compound: methyl 4-{2-[5-(3-methoxyphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0540
methyl 4-{2-[5-(3-methoxyphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]acetamido}benzoate

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

D579-0540

Molecular Formula

C20H18N4O5 (C20 H18 N4 O5)

Compound Name

methyl 4-{2-[5-(3-methoxyphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]acetamido}benzoate

IUPAC name

methyl 4-{2-[5-(3-methoxyphenyl)-3-oxo-23-dihydro-124-triazin-2-yl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CN1N=CC(c2cc(OC)ccc2)=NC1=O)=O)=O

InChI

InChI=1S/C20H18N4O5/c1-28-16-5-3-4-14(10-16)17-11-21-24(20(27)23-17)12-18(25)22-15-8-6-13(7-9-15)19(26)29-2/h3-11H,12H2,1-2H3,(H,22,25)

InChI Key

PEHXLNJKEHDGES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.721

Water Solubility, LogSw

-3.20

Polar Surface Area

88.928

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D579-0540 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 D579-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0540?
Check Price and Availability of D579-0540, 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 D579-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0540
  • 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 D579-0540 available by request