F044-0048 Screening compound: N-(2-methoxyethyl)-N'-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide

F044-0048 Screening compound: N-(2-methoxyethyl)-N'-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide
F044-0048 Screening compound: N-(2-methoxyethyl)-N'-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F044-0048
N-(2-methoxyethyl)-N'-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide

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

F044-0048

Molecular Formula

C14H16N4O4 (C14 H16 N4 O4)

Compound Name

N-(2-methoxyethyl)-N'-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide

IUPAC name

N-(2-methoxyethyl)-N'-[(4-oxo-34-dihydrophthalazin-1-yl)methyl]ethanediamide

SMILES

COCCNC(C(NCC(c1c2cccc1)=NNC2=O)=O)=O

InChI

InChI=1S/C14H16N4O4/c1-22-7-6-15-13(20)14(21)16-8-11-9-4-2-3-5-10(9)12(19)18-17-11/h2-5H,6-8H2,1H3,(H,15,20)(H,16,21)(H,18,19)

InChI Key

GJAWTABEVWRHJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09239733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.562

Distribution Coefficient, logD

-0.661

Water Solubility, LogSw

-2.09

Polar Surface Area

94.087

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F044-0048 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F044-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F044-0048?
Check Price and Availability of F044-0048, 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 F044-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F044-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F044-0048
  • 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 F044-0048 available by request