5122-2631 Screening compound: 4-chloro-N-{3-[(2-phenylethyl)amino]quinoxalin-2-yl}benzene-1-sulfonamide

5122-2631 Screening compound: 4-chloro-N-{3-[(2-phenylethyl)amino]quinoxalin-2-yl}benzene-1-sulfonamide
5122-2631 Screening compound: 4-chloro-N-{3-[(2-phenylethyl)amino]quinoxalin-2-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5122-2631
4-chloro-N-{3-[(2-phenylethyl)amino]quinoxalin-2-yl}benzene-1-sulfonamide

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

5122-2631

Molecular Formula

C22H19ClN4O2S (C22 H19 ClN4 O2 S)

Compound Name

4-chloro-N-{3-[(2-phenylethyl)amino]quinoxalin-2-yl}benzene-1-sulfonamide

IUPAC name

4-chloro-N-{3-[(2-phenylethyl)amino]quinoxalin-2-yl}benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1Cl)(Nc1nc2ccccc2nc1NCCc1ccccc1)=O

InChI

InChI=1S/C22H19ClN4O2S/c23-17-10-12-18(13-11-17)30(28,29)27-22-21(24-15-14-16-6-2-1-3-7-16)25-19-8-4-5-9-20(19)26-22/h1-13H,14-15H2,(H,24,25)(H,26,27)

InChI Key

LXEASPXPMCIGKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03473027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.087

Distribution Coefficient, logD

2.043

Water Solubility, LogSw

-5.44

Polar Surface Area

69.177

Acid Dissociation Constant (pKa)

4.36

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

5122-2631 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5122-2631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5122-2631?
Check Price and Availability of 5122-2631, 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 5122-2631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5122-2631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5122-2631
  • 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 5122-2631 available by request