4109-1933 Screening compound: N-(2-hydroxyethyl)-5-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

4109-1933 Screening compound: N-(2-hydroxyethyl)-5-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide
4109-1933 Screening compound: N-(2-hydroxyethyl)-5-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-1933
N-(2-hydroxyethyl)-5-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

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

4109-1933

Molecular Formula

C23H22N4O4S (C23 H22 N4 O4 S)

Compound Name

N-(2-hydroxyethyl)-5-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

IUPAC name

N-(2-hydroxyethyl)-5-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)ccc1O)c1)c1S(NCCO)(=O)=O

InChI

InChI=1S/C23H22N4O4S/c1-15-6-7-16(14-21(15)32(30,31)24-12-13-28)22-19-4-2-3-5-20(19)23(27-26-22)25-17-8-10-18(29)11-9-17/h2-11,14,24,28-29H,12-13H2,1H3,(H,25,27)

InChI Key

NQAJZGLUMSXWGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02235733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.246

Distribution Coefficient, logD

3.244

Water Solubility, LogSw

-3.39

Polar Surface Area

107.905

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4109-1933 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4109-1933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-1933?
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What is the minimum amount of 4109-1933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-1933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-1933
  • 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 4109-1933 available by request