4109-1912 Screening compound: N-(2,4-dimethylphenyl)-4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-amine

4109-1912 Screening compound: N-(2,4-dimethylphenyl)-4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-amine
4109-1912 Screening compound: N-(2,4-dimethylphenyl)-4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-1912
N-(2,4-dimethylphenyl)-4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]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

4109-1912

Molecular Formula

C27H28N4O3S (C27 H28 N4 O3 S)

Compound Name

N-(2,4-dimethylphenyl)-4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-amine

IUPAC name

N-(24-dimethylphenyl)-4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-amine

SMILES

Cc(cc1)cc(C)c1Nc1nnc(-c2cc(S(N3CCOCC3)(=O)=O)c(C)cc2)c2ccccc12

InChI

InChI=1S/C27H28N4O3S/c1-18-8-11-24(20(3)16-18)28-27-23-7-5-4-6-22(23)26(29-30-27)21-10-9-19(2)25(17-21)35(32,33)31-12-14-34-15-13-31/h4-11,16-17H,12-15H2,1-3H3,(H,28,30)

InChI Key

WQXWFSULZJEGNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02235708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

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

5.284

Distribution Coefficient, logD

5.284

Water Solubility, LogSw

-5.46

Polar Surface Area

70.683

Acid Dissociation Constant (pKa)

19.85

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

4109-1912 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Human Receptors Annotated Library (5376 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Selective Target Activity Profiling Library (14702 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
  • 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 4109-1912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-1912?
Check Price and Availability of 4109-1912, 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 4109-1912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-1912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-1912
  • 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 4109-1912 available by request