G498-0056 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]-4-ethoxy-1-benzenesulfonamide

G498-0056 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]-4-ethoxy-1-benzenesulfonamide
G498-0056 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]-4-ethoxy-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0056
N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]-4-ethoxy-1-benzenesulfonamide

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

G498-0056

Molecular Formula

C18H22N2O5S2 (C18 H22 N2 O5 S2)

Compound Name

N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]-4-ethoxy-1-benzenesulfonamide

IUPAC name

N-[5-(11-dioxo-1lambda62-thiazolidin-2-yl)-2-methylphenyl]-4-ethoxybenzene-1-sulfonamide

SMILES

CCOc(cc1)ccc1S(Nc1c(C)ccc(N(CCC2)S2(=O)=O)c1)(=O)=O

InChI

InChI=1S/C18H22N2O5S2/c1-3-25-16-7-9-17(10-8-16)27(23,24)19-18-13-15(6-5-14(18)2)20-11-4-12-26(20,21)22/h5-10,13,19H,3-4,11-12H2,1-2H3

InChI Key

UVFKVOLFJCFGTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.485

Distribution Coefficient, logD

2.477

Water Solubility, LogSw

-2.92

Polar Surface Area

79.349

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-9.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G498-0056 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G498-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0056?
Check Price and Availability of G498-0056, 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 G498-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0056
  • 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 G498-0056 available by request