4111-1885 Screening compound: (2E)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-(naphthalen-1-yl)prop-2-enamide

4111-1885 Screening compound: (2E)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-(naphthalen-1-yl)prop-2-enamide
4111-1885 Screening compound: (2E)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-(naphthalen-1-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-1885
(2E)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-(naphthalen-1-yl)prop-2-enamide

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

4111-1885

Molecular Formula

C25H22N4O5S (C25 H22 N4 O5 S)

Compound Name

(2E)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-(naphthalen-1-yl)prop-2-enamide

IUPAC name

(2E)-N-{4-[(26-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-(naphthalen-1-yl)prop-2-enamide

SMILES

COc1cc(NS(c(cc2)ccc2NC(/C=C/c2cccc3ccccc23)=O)(=O)=O)nc(OC)n1

InChI

InChI=1S/C25H22N4O5S/c1-33-24-16-22(27-25(28-24)34-2)29-35(31,32)20-13-11-19(12-14-20)26-23(30)15-10-18-8-5-7-17-6-3-4-9-21(17)18/h3-16H,1-2H3,(H,26,30)(H,27,28,29)

InChI Key

LBKQLXLAIXLABO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02975591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.722

Distribution Coefficient, logD

1.594

Water Solubility, LogSw

-5.44

Polar Surface Area

97.421

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

4111-1885 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4111-1885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-1885?
Check Price and Availability of 4111-1885, 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 4111-1885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-1885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-1885
  • 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 4111-1885 available by request