6208-0450 Screening compound: N-{4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl}-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

6208-0450 Screening compound: N-{4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl}-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
6208-0450 Screening compound: N-{4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl}-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6208-0450
N-{4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl}-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]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

6208-0450

Molecular Formula

C22H20ClN7O3S2 (C22 H20 ClN7 O3 S2)

Compound Name

N-{4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl}-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

IUPAC name

N-{4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl}-2-[(4-ethyl-5-phenyl-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

CCn1c(SCC(Nc(cc2)ccc2S(Nc(cc2)nnc2Cl)(=O)=O)=O)nnc1-c1ccccc1

InChI

InChI=1S/C22H20ClN7O3S2/c1-2-30-21(15-6-4-3-5-7-15)27-28-22(30)34-14-20(31)24-16-8-10-17(11-9-16)35(32,33)29-19-13-12-18(23)25-26-19/h3-13H,2,14H2,1H3,(H,24,31)(H,26,29)

InChI Key

PFXUZVVVGKTLCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05022517

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

530.03

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

1.105

Water Solubility, LogSw

-3.75

Polar Surface Area

109.941

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

6208-0450 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6208-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6208-0450?
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What is the minimum amount of 6208-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6208-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6208-0450
  • 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 6208-0450 available by request