4109-1989 Screening compound: 4-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzene-1-sulfonamide

4109-1989 Screening compound: 4-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzene-1-sulfonamide
4109-1989 Screening compound: 4-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-1989
4-({4-[4-methyl-3-(piperidine-1-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

4109-1989

Molecular Formula

C26H27N5O4S2 (C26 H27 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)ccc1S(N)(=O)=O)c1)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C26H27N5O4S2/c1-18-9-10-19(17-24(18)37(34,35)31-15-5-2-6-16-31)25-22-7-3-4-8-23(22)26(30-29-25)28-20-11-13-21(14-12-20)36(27,32)33/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,30)(H2,27,32,33)

InChI Key

JBLKPRKOUYFGEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02234215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.66

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.835

Distribution Coefficient, logD

3.833

Water Solubility, LogSw

-4.06

Polar Surface Area

114.075

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4109-1989 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4109-1989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-1989?
Check Price and Availability of 4109-1989, 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 4109-1989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-1989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-1989
  • 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 4109-1989 available by request