G498-0214 Screening compound: 5-bromo-N~2~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-2-furamide

G498-0214 Screening compound: 5-bromo-N~2~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-2-furamide
G498-0214 Screening compound: 5-bromo-N~2~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0214
5-bromo-N~2~-[3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-2-furamide

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

G498-0214

Molecular Formula

C14H13BrN2O4S (C14 H13 BrN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(o1)ccc1Br)Nc1cc(N(CCC2)S2(=O)=O)ccc1

InChI

InChI=1S/C14H13BrN2O4S/c15-13-6-5-12(21-13)14(18)16-10-3-1-4-11(9-10)17-7-2-8-22(17,19)20/h1,3-6,9H,2,7-8H2,(H,16,18)

InChI Key

PMACSOMCNCJTMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.336

Distribution Coefficient, logD

2.331

Water Solubility, LogSw

-3.02

Polar Surface Area

64.291

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

G498-0214 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G498-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0214?
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What is the minimum amount of G498-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0214
  • 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 G498-0214 available by request