G498-0312 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-2,6-dimethoxybenzamide

G498-0312 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
G498-0312 Screening compound: N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-2,6-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0312
N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-2,6-dimethoxybenzamide

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

G498-0312

Molecular Formula

C19H22N2O6S (C19 H22 N2 O6 S)

Compound Name

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

IUPAC name

N-[5-(11-dioxo-1lambda62-thiazolidin-2-yl)-2-methoxyphenyl]-26-dimethoxybenzamide

SMILES

COc(ccc(N(CCC1)S1(=O)=O)c1)c1NC(c(c(OC)ccc1)c1OC)=O

InChI

InChI=1S/C19H22N2O6S/c1-25-15-9-8-13(21-10-5-11-28(21,23)24)12-14(15)20-19(22)18-16(26-2)6-4-7-17(18)27-3/h4,6-9,12H,5,10-11H2,1-3H3,(H,20,22)

InChI Key

JMJCIHWGSJGKCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.443

Distribution Coefficient, logD

0.699

Water Solubility, LogSw

-2.52

Polar Surface Area

77.559

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with G498-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0312?
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What is the minimum amount of G498-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0312
  • 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 G498-0312 available by request