4696-0830 Screening compound: N-(4-{[3-(4-chlorobenzenesulfonamido)-7-methylquinoxalin-2-yl]amino}phenyl)acetamide

4696-0830 Screening compound: N-(4-{[3-(4-chlorobenzenesulfonamido)-7-methylquinoxalin-2-yl]amino}phenyl)acetamide
4696-0830 Screening compound: N-(4-{[3-(4-chlorobenzenesulfonamido)-7-methylquinoxalin-2-yl]amino}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4696-0830
N-(4-{[3-(4-chlorobenzenesulfonamido)-7-methylquinoxalin-2-yl]amino}phenyl)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

4696-0830

Molecular Formula

C23H20ClN5O3S (C23 H20 ClN5 O3 S)

Compound Name

N-(4-{[3-(4-chlorobenzenesulfonamido)-7-methylquinoxalin-2-yl]amino}phenyl)acetamide

IUPAC name

N-(4-{[3-(4-chlorobenzenesulfonamido)-7-methylquinoxalin-2-yl]amino}phenyl)acetamide

SMILES

CC(Nc(cc1)ccc1Nc1nc2cc(C)ccc2nc1NS(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C23H20ClN5O3S/c1-14-3-12-20-21(13-14)28-22(26-18-8-6-17(7-9-18)25-15(2)30)23(27-20)29-33(31,32)19-10-4-16(24)5-11-19/h3-13H,1-2H3,(H,25,30)(H,26,28)(H,27,29)

InChI Key

KYLDCJDFSFAKRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03079463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

3.309

Water Solubility, LogSw

-4.83

Polar Surface Area

91.275

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

4696-0830 in Drug Discovery

Included in Screening Libraries

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
  • 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 4696-0830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4696-0830?
Check Price and Availability of 4696-0830, 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 4696-0830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4696-0830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4696-0830
  • 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 4696-0830 available by request