F044-0079 Screening compound: N'-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide

F044-0079 Screening compound: N'-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide
F044-0079 Screening compound: N'-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F044-0079
N'-[(2-methoxyphenyl)methyl]-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

F044-0079

Molecular Formula

C19H18N4O4 (C19 H18 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(C(NCC(c2c3cccc2)=NNC3=O)=O)=O)cccc1

InChI

InChI=1S/C19H18N4O4/c1-27-16-9-5-2-6-12(16)10-20-18(25)19(26)21-11-15-13-7-3-4-8-14(13)17(24)23-22-15/h2-9H,10-11H2,1H3,(H,20,25)(H,21,26)(H,23,24)

InChI Key

IJPBUJSOSHKAHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09239762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.38

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

1.167

Distribution Coefficient, logD

1.123

Water Solubility, LogSw

-2.16

Polar Surface Area

93.262

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

F044-0079 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with F044-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F044-0079?
Check Price and Availability of F044-0079, 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 F044-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F044-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F044-0079
  • 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 F044-0079 available by request