G498-0222 Screening compound: N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4-dimethoxybenzamide

G498-0222 Screening compound: N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4-dimethoxybenzamide
G498-0222 Screening compound: N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0222
N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4-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

G498-0222

Molecular Formula

C18H20N2O5S (C18 H20 N2 O5 S)

Compound Name

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

IUPAC name

N-[3-(11-dioxo-1lambda62-thiazolidin-2-yl)phenyl]-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc1cccc(N(CCC2)S2(=O)=O)c1)=O)c1)c1OC

InChI

InChI=1S/C18H20N2O5S/c1-24-16-8-7-13(11-17(16)25-2)18(21)19-14-5-3-6-15(12-14)20-9-4-10-26(20,22)23/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,21)

InChI Key

RLALNIWOTSVRCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.823

Distribution Coefficient, logD

1.823

Water Solubility, LogSw

-2.57

Polar Surface Area

70.626

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with G498-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0222?
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What is the minimum amount of G498-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0222
  • 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 G498-0222 available by request