5429-4181 Screening compound: 4-fluoro-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}benzamide

5429-4181 Screening compound: 4-fluoro-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}benzamide
5429-4181 Screening compound: 4-fluoro-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5429-4181
4-fluoro-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}benzamide

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

5429-4181

Molecular Formula

C18H15FN4O4S (C18 H15 FN4 O4 S)

Compound Name

4-fluoro-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}benzamide

IUPAC name

4-fluoro-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}benzamide

SMILES

COc1nccnc1NS(c(cc1)ccc1NC(c(cc1)ccc1F)=O)(=O)=O

InChI

InChI=1S/C18H15FN4O4S/c1-27-18-16(20-10-11-21-18)23-28(25,26)15-8-6-14(7-9-15)22-17(24)12-2-4-13(19)5-3-12/h2-11H,1H3,(H,20,23)(H,22,24)

InChI Key

DUAWBLKLZKFSHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00704527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.827

Distribution Coefficient, logD

1.326

Water Solubility, LogSw

-3.80

Polar Surface Area

91.016

Acid Dissociation Constant (pKa)

5.91

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

5429-4181 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 5429-4181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5429-4181?
Check Price and Availability of 5429-4181, 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 5429-4181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5429-4181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5429-4181
  • 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 5429-4181 available by request