G498-0087 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-1-benzenesulfonamide

G498-0087 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-1-benzenesulfonamide
G498-0087 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0087
N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-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

G498-0087

Molecular Formula

C16H18N2O5S2 (C16 H18 N2 O5 S2)

Compound Name

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

IUPAC name

N-[5-(11-dioxo-1lambda62-thiazolidin-2-yl)-2-methoxyphenyl]benzenesulfonamide

SMILES

COc(ccc(N(CCC1)S1(=O)=O)c1)c1NS(c1ccccc1)(=O)=O

InChI

InChI=1S/C16H18N2O5S2/c1-23-16-9-8-13(18-10-5-11-24(18,19)20)12-15(16)17-25(21,22)14-6-3-2-4-7-14/h2-4,6-9,12,17H,5,10-11H2,1H3

InChI Key

VEDLYLZGVAEJDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.621

Distribution Coefficient, logD

1.006

Water Solubility, LogSw

-2.61

Polar Surface Area

79.856

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-9.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with G498-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0087?
Check Price and Availability of G498-0087, 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 G498-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0087
  • 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 G498-0087 available by request