G498-0219 Screening compound: 2-bromo-N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]benzamide

G498-0219 Screening compound: 2-bromo-N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]benzamide
G498-0219 Screening compound: 2-bromo-N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0219
2-bromo-N~1~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]benzamide

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

G498-0219

Molecular Formula

C16H15BrN2O3S (C16 H15 BrN2 O3 S)

Compound Name

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

IUPAC name

2-bromo-N-[3-(11-dioxo-1lambda62-thiazolidin-2-yl)phenyl]benzamide

SMILES

O=C(c(cccc1)c1Br)Nc1cc(N(CCC2)S2(=O)=O)ccc1

InChI

InChI=1S/C16H15BrN2O3S/c17-15-8-2-1-7-14(15)16(20)18-12-5-3-6-13(11-12)19-9-4-10-23(19,21)22/h1-3,5-8,11H,4,9-10H2,(H,18,20)

InChI Key

CSDGELGYKLHLIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

2.506

Water Solubility, LogSw

-3.18

Polar Surface Area

55.365

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

G498-0219 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G498-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0219?
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What is the minimum amount of G498-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0219
  • 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 G498-0219 available by request