G206-2191 Screening compound: N~1~-(sec-butyl)-4-{[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide

G206-2191 Screening compound: N~1~-(sec-butyl)-4-{[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide
G206-2191 Screening compound: N~1~-(sec-butyl)-4-{[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G206-2191
N~1~-(sec-butyl)-4-{[4-methyl-5-(4-methylphenyl)-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

G206-2191

Molecular Formula

C23H26N2O4S (C23 H26 N2 O4 S)

Compound Name

N~1~-(sec-butyl)-4-{[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~-isothiazol-2-yl]methyl}benzamide

IUPAC name

N-(butan-2-yl)-4-{[4-methyl-5-(4-methylphenyl)-113-trioxo-23-dihydro-1lambda62-thiazol-2-yl]methyl}benzamide

SMILES

CCC(C)NC(c1ccc(CN(C(C(C)=C2c3ccc(C)cc3)=O)S2(=O)=O)cc1)=O

InChI

InChI=1S/C23H26N2O4S/c1-5-16(3)24-22(26)20-12-8-18(9-13-20)14-25-23(27)17(4)21(30(25,28)29)19-10-6-15(2)7-11-19/h6-13,16H,5,14H2,1-4H3,(H,24,26)/t16-/m0/s1

InChI Key

QWEZCOLGUDPABU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27210518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.188

Distribution Coefficient, logD

3.188

Water Solubility, LogSw

-3.49

Polar Surface Area

69.310

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

G206-2191 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 G206-2191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G206-2191?
Check Price and Availability of G206-2191, 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 G206-2191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G206-2191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G206-2191
  • 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 G206-2191 available by request