5618-0068 Screening compound: 4-chloro-N-(6-methyl-3-{[4-(pyrrolidin-1-yl)phenyl]amino}quinoxalin-2-yl)benzene-1-sulfonamide

5618-0068 Screening compound: 4-chloro-N-(6-methyl-3-{[4-(pyrrolidin-1-yl)phenyl]amino}quinoxalin-2-yl)benzene-1-sulfonamide
5618-0068 Screening compound: 4-chloro-N-(6-methyl-3-{[4-(pyrrolidin-1-yl)phenyl]amino}quinoxalin-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5618-0068
4-chloro-N-(6-methyl-3-{[4-(pyrrolidin-1-yl)phenyl]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

5618-0068

Molecular Formula

C25H24ClN5O2S (C25 H24 ClN5 O2 S)

Compound Name

4-chloro-N-(6-methyl-3-{[4-(pyrrolidin-1-yl)phenyl]amino}quinoxalin-2-yl)benzene-1-sulfonamide

IUPAC name

4-chloro-N-(6-methyl-3-{[4-(pyrrolidin-1-yl)phenyl]amino}quinoxalin-2-yl)benzene-1-sulfonamide

SMILES

Cc(cc1nc2Nc(cc3)ccc3N3CCCC3)ccc1nc2NS(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C25H24ClN5O2S/c1-17-4-13-22-23(16-17)29-24(27-19-7-9-20(10-8-19)31-14-2-3-15-31)25(28-22)30-34(32,33)21-11-5-18(26)6-12-21/h4-13,16H,2-3,14-15H2,1H3,(H,27,29)(H,28,30)

InChI Key

NUAIXFKZKJMPQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04084730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.410

Distribution Coefficient, logD

4.865

Water Solubility, LogSw

-6.34

Polar Surface Area

71.831

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5618-0068 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 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
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5618-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5618-0068?
Check Price and Availability of 5618-0068, 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 5618-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5618-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5618-0068
  • 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 5618-0068 available by request