4109-1913 Screening compound: 4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-N-(3-methylphenyl)phthalazin-1-amine

4109-1913 Screening compound: 4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-N-(3-methylphenyl)phthalazin-1-amine
4109-1913 Screening compound: 4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-N-(3-methylphenyl)phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-1913
4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-N-(3-methylphenyl)phthalazin-1-amine

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

4109-1913

Molecular Formula

C26H26N4O3S (C26 H26 N4 O3 S)

Compound Name

4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-N-(3-methylphenyl)phthalazin-1-amine

IUPAC name

4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-N-(3-methylphenyl)phthalazin-1-amine

SMILES

Cc1cccc(Nc2nnc(-c3cc(S(N4CCOCC4)(=O)=O)c(C)cc3)c3ccccc23)c1

InChI

InChI=1S/C26H26N4O3S/c1-18-6-5-7-21(16-18)27-26-23-9-4-3-8-22(23)25(28-29-26)20-11-10-19(2)24(17-20)34(31,32)30-12-14-33-15-13-30/h3-11,16-17H,12-15H2,1-2H3,(H,27,29)

InChI Key

FMMBELQFEUETKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02240093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.845

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-4.76

Polar Surface Area

71.380

Acid Dissociation Constant (pKa)

20.39

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4109-1913 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

KRAS-Targeted Library (16000 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 4109-1913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-1913?
Check Price and Availability of 4109-1913, 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 4109-1913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-1913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-1913
  • 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 4109-1913 available by request