G206-3173 Screening compound: N~1~-(4-bromo-3-methylphenyl)-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide

G206-3173 Screening compound: N~1~-(4-bromo-3-methylphenyl)-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide
G206-3173 Screening compound: N~1~-(4-bromo-3-methylphenyl)-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G206-3173
N~1~-(4-bromo-3-methylphenyl)-2-[5-(4-ethylphenyl)-4-methyl-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

G206-3173

Molecular Formula

C21H21BrN2O4S (C21 H21 BrN2 O4 S)

Compound Name

N~1~-(4-bromo-3-methylphenyl)-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]acetamide

IUPAC name

N-(4-bromo-3-methylphenyl)-2-[5-(4-ethylphenyl)-4-methyl-113-trioxo-23-dihydro-1lambda62-thiazol-2-yl]acetamide

SMILES

CCc(cc1)ccc1C(S(N1CC(Nc(cc2)cc(C)c2Br)=O)(=O)=O)=C(C)C1=O

InChI

InChI=1S/C21H21BrN2O4S/c1-4-15-5-7-16(8-6-15)20-14(3)21(26)24(29(20,27)28)12-19(25)23-17-9-10-18(22)13(2)11-17/h5-11H,4,12H2,1-3H3,(H,23,25)

InChI Key

KTOJICYKHRJKGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27210648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.681

Distribution Coefficient, logD

4.681

Water Solubility, LogSw

-4.37

Polar Surface Area

68.333

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G206-3173 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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 G206-3173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-3173?
Check Price and Availability of G206-3173, 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 G206-3173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-3173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-3173
  • 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 G206-3173 available by request