G206-3868 Screening compound: N~1~-(2,3-dimethylphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide

G206-3868 Screening compound: N~1~-(2,3-dimethylphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide
G206-3868 Screening compound: N~1~-(2,3-dimethylphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G206-3868
N~1~-(2,3-dimethylphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]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

G206-3868

Molecular Formula

C22H24N2O5S (C22 H24 N2 O5 S)

Compound Name

N~1~-(2,3-dimethylphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide

IUPAC name

N-(23-dimethylphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-113-trioxo-23-dihydro-1lambda62-thiazol-2-yl]acetamide

SMILES

CCC(C(N1CC(Nc2c(C)c(C)ccc2)=O)=O)=C(c(cc2)ccc2OC)S1(=O)=O

InChI

InChI=1S/C22H24N2O5S/c1-5-18-21(16-9-11-17(29-4)12-10-16)30(27,28)24(22(18)26)13-20(25)23-19-8-6-7-14(2)15(19)3/h6-12H,5,13H2,1-4H3,(H,23,25)

InChI Key

UWCLQVYKZVBNHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.616

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-3.69

Polar Surface Area

75.179

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G206-3868 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G206-3868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-3868?
Check Price and Availability of G206-3868, 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 G206-3868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-3868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-3868
  • 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 G206-3868 available by request