4109-2098 Screening compound: 5-({4-[3-(diethylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)-2-methoxybenzamide

4109-2098 Screening compound: 5-({4-[3-(diethylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)-2-methoxybenzamide
4109-2098 Screening compound: 5-({4-[3-(diethylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-2098
5-({4-[3-(diethylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)-2-methoxybenzamide

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

4109-2098

Molecular Formula

C27H29N5O4S (C27 H29 N5 O4 S)

Compound Name

5-({4-[3-(diethylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)-2-methoxybenzamide

IUPAC name

5-({4-[3-(diethylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)-2-methoxybenzamide

SMILES

CCN(CC)S(c1c(C)ccc(-c(c2ccccc22)nnc2Nc(cc2)cc(C(N)=O)c2OC)c1)(=O)=O

InChI

InChI=1S/C27H29N5O4S/c1-5-32(6-2)37(34,35)24-15-18(12-11-17(24)3)25-20-9-7-8-10-21(20)27(31-30-25)29-19-13-14-23(36-4)22(16-19)26(28)33/h7-16H,5-6H2,1-4H3,(H2,28,33)(H,29,31)

InChI Key

IFYCHHNBEVVWKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02236246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.017

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.31

Polar Surface Area

104.547

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4109-2098 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Aurora A-B Kinases Targeted Library (9426 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4109-2098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-2098?
Check Price and Availability of 4109-2098, 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 4109-2098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-2098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-2098
  • 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 4109-2098 available by request