4109-1950 Screening compound: N-(2-hydroxyethyl)-5-{4-[(3-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

4109-1950 Screening compound: N-(2-hydroxyethyl)-5-{4-[(3-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide
4109-1950 Screening compound: N-(2-hydroxyethyl)-5-{4-[(3-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-1950
N-(2-hydroxyethyl)-5-{4-[(3-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

4109-1950

Molecular Formula

C23H22N4O4S (C23 H22 N4 O4 S)

Compound Name

N-(2-hydroxyethyl)-5-{4-[(3-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

IUPAC name

N-(2-hydroxyethyl)-5-{4-[(3-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc1cc(O)ccc1)c1)c1S(NCCO)(=O)=O

InChI

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

InChI Key

ICDVOYFPCBJIIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237810

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

3.249

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.26

Polar Surface Area

107.905

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4109-1950 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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 4109-1950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-1950?
Check Price and Availability of 4109-1950, 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 4109-1950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-1950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-1950
  • 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 4109-1950 available by request