F044-0069 Screening compound: N-cyclopentyl-N'-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide

F044-0069 Screening compound: N-cyclopentyl-N'-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide
F044-0069 Screening compound: N-cyclopentyl-N'-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F044-0069
N-cyclopentyl-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

F044-0069

Molecular Formula

C16H18N4O3 (C16 H18 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(NC1CCCC1)=O)NCC(c1c2cccc1)=NNC2=O

InChI

InChI=1S/C16H18N4O3/c21-14-12-8-4-3-7-11(12)13(19-20-14)9-17-15(22)16(23)18-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,22)(H,18,23)(H,20,21)

InChI Key

BHRJJQSLNWRERF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09239752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.849

Distribution Coefficient, logD

0.754

Water Solubility, LogSw

-2.15

Polar Surface Area

85.723

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F044-0069 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F044-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F044-0069?
Check Price and Availability of F044-0069, 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 F044-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F044-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F044-0069
  • 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 F044-0069 available by request