G498-0100 Screening compound: N~6~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

G498-0100 Screening compound: N~6~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
G498-0100 Screening compound: N~6~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0100
N~6~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

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

G498-0100

Molecular Formula

C18H20N2O7S2 (C18 H20 N2 O7 S2)

Compound Name

N~6~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

IUPAC name

N-[5-(11-dioxo-1lambda62-thiazolidin-2-yl)-2-methoxyphenyl]-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

COc(ccc(N(CCC1)S1(=O)=O)c1)c1NS(c(cc1)cc2c1OCCO2)(=O)=O

InChI

InChI=1S/C18H20N2O7S2/c1-25-16-5-3-13(20-7-2-10-28(20,21)22)11-15(16)19-29(23,24)14-4-6-17-18(12-14)27-9-8-26-17/h3-6,11-12,19H,2,7-10H2,1H3

InChI Key

BDABPQFJZRWPEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.753

Distribution Coefficient, logD

0.713

Water Solubility, LogSw

-2.38

Polar Surface Area

95.679

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

-8.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with G498-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0100?
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What is the minimum amount of G498-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0100
  • 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 G498-0100 available by request