5498-2647 Screening compound: N-(4-methoxyphenyl)-4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-amine

5498-2647 Screening compound: N-(4-methoxyphenyl)-4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-amine
5498-2647 Screening compound: N-(4-methoxyphenyl)-4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2647
N-(4-methoxyphenyl)-4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-amine

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

5498-2647

Molecular Formula

C25H23N5O4 (C25 H23 N5 O4)

Compound Name

N-(4-methoxyphenyl)-4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-amine

IUPAC name

N-(4-methoxyphenyl)-4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-amine

SMILES

COc(cc1)ccc1Nc1nnc(-c(cc2)cc([N+]([O-])=O)c2N2CCOCC2)c2ccccc12

InChI

InChI=1S/C25H23N5O4/c1-33-19-9-7-18(8-10-19)26-25-21-5-3-2-4-20(21)24(27-28-25)17-6-11-22(23(16-17)30(31)32)29-12-14-34-15-13-29/h2-11,16H,12-15H2,1H3,(H,26,28)

InChI Key

IUTTWHZWJKXQAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03681023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.461

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.41

Polar Surface Area

83.445

Acid Dissociation Constant (pKa)

19.88

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5498-2647 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Akt-Targeted Library (14764 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5498-2647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2647?
Check Price and Availability of 5498-2647, 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 5498-2647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2647
  • 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 5498-2647 available by request