K999-0244 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-3-(4-ethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

K999-0244 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-3-(4-ethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
K999-0244 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-3-(4-ethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K999-0244
N-{3-[benzyl(ethyl)amino]propyl}-3-(4-ethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

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

K999-0244

Molecular Formula

C29H32N4O3 (C29 H32 N4 O3)

Compound Name

N-{3-[benzyl(ethyl)amino]propyl}-3-(4-ethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

IUPAC name

N-{3-[benzyl(ethyl)amino]propyl}-3-(4-ethoxyphenyl)-4-oxo-34-dihydrophthalazine-1-carboxamide

SMILES

CCN(CCCNC(C(c1c2cccc1)=NN(c(cc1)ccc1OCC)C2=O)=O)Cc1ccccc1

InChI

InChI=1S/C29H32N4O3/c1-3-32(21-22-11-6-5-7-12-22)20-10-19-30-28(34)27-25-13-8-9-14-26(25)29(35)33(31-27)23-15-17-24(18-16-23)36-4-2/h5-9,11-18H,3-4,10,19-21H2,1-2H3,(H,30,34)

InChI Key

CRPCLEUQYQFMDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.068

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-3.94

Polar Surface Area

61.112

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

K999-0244 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K999-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K999-0244?
Check Price and Availability of K999-0244, 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 K999-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K999-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K999-0244
  • 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 K999-0244 available by request