5842-8701 Screening compound: 4-chloro-N-{3-[(3-fluorophenyl)amino]-6-methylquinoxalin-2-yl}benzene-1-sulfonamide

5842-8701 Screening compound: 4-chloro-N-{3-[(3-fluorophenyl)amino]-6-methylquinoxalin-2-yl}benzene-1-sulfonamide
5842-8701 Screening compound: 4-chloro-N-{3-[(3-fluorophenyl)amino]-6-methylquinoxalin-2-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5842-8701
4-chloro-N-{3-[(3-fluorophenyl)amino]-6-methylquinoxalin-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

5842-8701

Molecular Formula

C21H16ClFN4O2S (C21 H16 ClFN4 O2 S)

Compound Name

4-chloro-N-{3-[(3-fluorophenyl)amino]-6-methylquinoxalin-2-yl}benzene-1-sulfonamide

IUPAC name

4-chloro-N-{3-[(3-fluorophenyl)amino]-6-methylquinoxalin-2-yl}benzene-1-sulfonamide

SMILES

Cc(cc1nc2Nc3cc(F)ccc3)ccc1nc2NS(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C21H16ClFN4O2S/c1-13-5-10-18-19(11-13)26-20(24-16-4-2-3-15(23)12-16)21(25-18)27-30(28,29)17-8-6-14(22)7-9-17/h2-12H,1H3,(H,24,26)(H,25,27)

InChI Key

NTLXKFVXVIZVDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04231921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.807

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-6.07

Polar Surface Area

68.013

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

5842-8701 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • 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 5842-8701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5842-8701?
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What is the minimum amount of 5842-8701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5842-8701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5842-8701
  • 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 5842-8701 available by request