5498-2766 Screening compound: N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-4-nitrobenzamide

5498-2766 Screening compound: N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-4-nitrobenzamide
5498-2766 Screening compound: N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2766
N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-4-nitrobenzamide

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

5498-2766

Molecular Formula

C26H23N5O5 (C26 H23 N5 O5)

Compound Name

N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-4-nitrobenzamide

IUPAC name

N-[5-(3-methyl-4-oxo-34-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-4-nitrobenzamide

SMILES

CN1N=C(c(cc2)cc(NC(c(cc3)ccc3[N+]([O-])=O)=O)c2N2CCOCC2)c(cccc2)c2C1=O

InChI

InChI=1S/C26H23N5O5/c1-29-26(33)21-5-3-2-4-20(21)24(28-29)18-8-11-23(30-12-14-36-15-13-30)22(16-18)27-25(32)17-6-9-19(10-7-17)31(34)35/h2-11,16H,12-15H2,1H3,(H,27,32)

InChI Key

YRPXIXHQKHCCNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03674173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.577

Distribution Coefficient, logD

3.539

Water Solubility, LogSw

-3.87

Polar Surface Area

93.981

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

5498-2766 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5498-2766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2766?
Check Price and Availability of 5498-2766, 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 5498-2766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2766
  • 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 5498-2766 available by request