F044-0087 Screening compound: N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-N'-(2-phenylethyl)ethanediamide

F044-0087 Screening compound: N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-N'-(2-phenylethyl)ethanediamide
F044-0087 Screening compound: N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-N'-(2-phenylethyl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F044-0087
N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-N'-(2-phenylethyl)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

F044-0087

Molecular Formula

C19H18N4O3 (C19 H18 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(NCC(c1c2cccc1)=NNC2=O)=O)NCCc1ccccc1

InChI

InChI=1S/C19H18N4O3/c24-17-15-9-5-4-8-14(15)16(22-23-17)12-21-19(26)18(25)20-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,25)(H,21,26)(H,23,24)

InChI Key

LOMFUTCYQVWMJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.879

Distribution Coefficient, logD

0.784

Water Solubility, LogSw

-2.12

Polar Surface Area

85.473

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

F044-0087 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with F044-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F044-0087?
Check Price and Availability of F044-0087, 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 F044-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F044-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F044-0087
  • 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 F044-0087 available by request