G206-3823 Screening compound: N~1~-(3-chlorobenzyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide

G206-3823 Screening compound: N~1~-(3-chlorobenzyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide
G206-3823 Screening compound: N~1~-(3-chlorobenzyl)-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 G206-3823
N~1~-(3-chlorobenzyl)-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

G206-3823

Molecular Formula

C21H21ClN2O5S (C21 H21 ClN2 O5 S)

Compound Name

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

IUPAC name

N-[(3-chlorophenyl)methyl]-2-[4-ethyl-5-(4-methoxyphenyl)-113-trioxo-23-dihydro-1lambda62-thiazol-2-yl]acetamide

SMILES

CCC(C(N1CC(NCc2cccc(Cl)c2)=O)=O)=C(c(cc2)ccc2OC)S1(=O)=O

InChI

InChI=1S/C21H21ClN2O5S/c1-3-18-20(15-7-9-17(29-2)10-8-15)30(27,28)24(21(18)26)13-19(25)23-12-14-5-4-6-16(22)11-14/h4-11H,3,12-13H2,1-2H3,(H,23,25)

InChI Key

FNBFYFJXELXEJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.261

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.65

Polar Surface Area

77.199

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G206-3823 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 G206-3823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-3823?
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What is the minimum amount of G206-3823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-3823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-3823
  • 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 G206-3823 available by request