F044-0065 Screening compound: N-[3-(diethylamino)propyl]-N'-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide

F044-0065 Screening compound: N-[3-(diethylamino)propyl]-N'-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide
F044-0065 Screening compound: N-[3-(diethylamino)propyl]-N'-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F044-0065
N-[3-(diethylamino)propyl]-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

F044-0065

Molecular Formula

C18H25N5O3 (C18 H25 N5 O3)

Compound Name

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

IUPAC name

N-[3-(diethylamino)propyl]-N'-[(4-oxo-34-dihydrophthalazin-1-yl)methyl]ethanediamide

SMILES

CCN(CC)CCCNC(C(NCC(c1c2cccc1)=NNC2=O)=O)=O

InChI

InChI=1S/C18H25N5O3/c1-3-23(4-2)11-7-10-19-17(25)18(26)20-12-15-13-8-5-6-9-14(13)16(24)22-21-15/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,19,25)(H,20,26)(H,22,24)

InChI Key

OFWCMPSNWIVQHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09239748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.285

Distribution Coefficient, logD

-2.436

Water Solubility, LogSw

-2.26

Polar Surface Area

89.156

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

F044-0065 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F044-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F044-0065?
Check Price and Availability of F044-0065, 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 F044-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F044-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F044-0065
  • 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 F044-0065 available by request