G206-4219 Screening compound: N~1~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-4-{[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide

G206-4219 Screening compound: N~1~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-4-{[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide
G206-4219 Screening compound: N~1~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-4-{[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G206-4219
N~1~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-4-{[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide

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

G206-4219

Molecular Formula

C26H27N3O6S (C26 H27 N3 O6 S)

Compound Name

N~1~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-4-{[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide

IUPAC name

N-[2-(35-dimethyl-12-oxazol-4-yl)ethyl]-4-{[5-(4-methoxyphenyl)-4-methyl-113-trioxo-23-dihydro-1lambda62-thiazol-2-yl]methyl}benzamide

SMILES

CC(C(N1Cc(cc2)ccc2C(NCCc2c(C)onc2C)=O)=O)=C(c(cc2)ccc2OC)S1(=O)=O

InChI

InChI=1S/C26H27N3O6S/c1-16-24(20-9-11-22(34-4)12-10-20)36(32,33)29(26(16)31)15-19-5-7-21(8-6-19)25(30)27-14-13-23-17(2)28-35-18(23)3/h5-12H,13-15H2,1-4H3,(H,27,30)

InChI Key

QPDQLACKHDQMCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.633

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-3.07

Polar Surface Area

99.021

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G206-4219 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Immune system
Structure:
  • Mimetics
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G206-4219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-4219?
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What is the minimum amount of G206-4219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-4219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-4219
  • 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 G206-4219 available by request