G498-0432 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-4-ethoxybenzamide

G498-0432 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-4-ethoxybenzamide
G498-0432 Screening compound: N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0432
N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-4-ethoxybenzamide

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

G498-0432

Molecular Formula

C18H19ClN2O4S (C18 H19 ClN2 O4 S)

Compound Name

N~1~-[4-chloro-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-4-ethoxybenzamide

IUPAC name

N-[4-chloro-3-(11-dioxo-1lambda62-thiazolidin-2-yl)phenyl]-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(Nc(cc1)cc(N(CCC2)S2(=O)=O)c1Cl)=O

InChI

InChI=1S/C18H19ClN2O4S/c1-2-25-15-7-4-13(5-8-15)18(22)20-14-6-9-16(19)17(12-14)21-10-3-11-26(21,23)24/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)

InChI Key

KQKYTBJWZCBFTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.956

Distribution Coefficient, logD

2.950

Water Solubility, LogSw

-3.71

Polar Surface Area

62.188

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with G498-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0432?
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What is the minimum amount of G498-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0432
  • 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 G498-0432 available by request