5233-2319 Screening compound: 4-[(4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-yl)amino]benzene-1-sulfonamide

5233-2319 Screening compound: 4-[(4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-yl)amino]benzene-1-sulfonamide
5233-2319 Screening compound: 4-[(4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-yl)amino]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5233-2319
4-[(4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-yl)amino]benzene-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

5233-2319

Molecular Formula

C26H28N6O4S2 (C26 H28 N6 O4 S2)

Compound Name

4-[(4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-yl)amino]benzene-1-sulfonamide

IUPAC name

4-[(4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-yl)amino]benzene-1-sulfonamide

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)ccc1S(N)(=O)=O)c1)c1S(N1CCN(C)CC1)(=O)=O

InChI

InChI=1S/C26H28N6O4S2/c1-18-7-8-19(17-24(18)38(35,36)32-15-13-31(2)14-16-32)25-22-5-3-4-6-23(22)26(30-29-25)28-20-9-11-21(12-10-20)37(27,33)34/h3-12,17H,13-16H2,1-2H3,(H,28,30)(H2,27,33,34)

InChI Key

YLOUQDZQNSMSCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03288097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.68

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.739

Distribution Coefficient, logD

2.675

Water Solubility, LogSw

-3.44

Polar Surface Area

117.552

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5233-2319 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5233-2319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5233-2319?
Check Price and Availability of 5233-2319, 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 5233-2319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5233-2319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5233-2319
  • 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 5233-2319 available by request