4109-2020 Screening compound: N-methyl-2-[4-({4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-yl}amino)phenoxy]acetamide

4109-2020 Screening compound: N-methyl-2-[4-({4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-yl}amino)phenoxy]acetamide
4109-2020 Screening compound: N-methyl-2-[4-({4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-yl}amino)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-2020
N-methyl-2-[4-({4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-yl}amino)phenoxy]acetamide

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

4109-2020

Molecular Formula

C28H29N5O5S (C28 H29 N5 O5 S)

Compound Name

N-methyl-2-[4-({4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-yl}amino)phenoxy]acetamide

IUPAC name

N-methyl-2-[4-({4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-yl}amino)phenoxy]acetamide

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)ccc1OCC(NC)=O)c1)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C28H29N5O5S/c1-19-7-8-20(17-25(19)39(35,36)33-13-15-37-16-14-33)27-23-5-3-4-6-24(23)28(32-31-27)30-21-9-11-22(12-10-21)38-18-26(34)29-2/h3-12,17H,13-16,18H2,1-2H3,(H,29,34)(H,30,32)

InChI Key

FLYGXFYHXFTYKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02234347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.177

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-3.41

Polar Surface Area

103.501

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4109-2020 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4109-2020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-2020?
Check Price and Availability of 4109-2020, 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 4109-2020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-2020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-2020
  • 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 4109-2020 available by request