5498-2646 Screening compound: 4-({4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-yl}amino)phenol

5498-2646 Screening compound: 4-({4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-yl}amino)phenol
5498-2646 Screening compound: 4-({4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-yl}amino)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2646
4-({4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-yl}amino)phenol

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

5498-2646

Molecular Formula

C24H21N5O4 (C24 H21 N5 O4)

Compound Name

4-({4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-yl}amino)phenol

IUPAC name

4-({4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-yl}amino)phenol

SMILES

[O-][N+](c(cc(cc1)-c(c2ccccc22)nnc2Nc(cc2)ccc2O)c1N1CCOCC1)=O

InChI

InChI=1S/C24H21N5O4/c30-18-8-6-17(7-9-18)25-24-20-4-2-1-3-19(20)23(26-27-24)16-5-10-21(22(15-16)29(31)32)28-11-13-33-14-12-28/h1-10,15,30H,11-14H2,(H,25,27)

InChI Key

XUQYIJIIQKNTGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03682837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.859

Distribution Coefficient, logD

3.857

Water Solubility, LogSw

-4.20

Polar Surface Area

93.519

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5498-2646 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5498-2646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2646?
Check Price and Availability of 5498-2646, 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 5498-2646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2646
  • 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 5498-2646 available by request