G498-0287 Screening compound: 4-(tert-butyl)-N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]benzamide

G498-0287 Screening compound: 4-(tert-butyl)-N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]benzamide
G498-0287 Screening compound: 4-(tert-butyl)-N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G498-0287
4-(tert-butyl)-N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]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

G498-0287

Molecular Formula

C21H26N2O3S (C21 H26 N2 O3 S)

Compound Name

4-(tert-butyl)-N~1~-[5-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-2-methylphenyl]benzamide

IUPAC name

4-tert-butyl-N-[5-(11-dioxo-1lambda62-thiazolidin-2-yl)-2-methylphenyl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1c(C)ccc(N(CCC2)S2(=O)=O)c1)=O

InChI

InChI=1S/C21H26N2O3S/c1-15-6-11-18(23-12-5-13-27(23,25)26)14-19(15)22-20(24)16-7-9-17(10-8-16)21(2,3)4/h6-11,14H,5,12-13H2,1-4H3,(H,22,24)

InChI Key

WUEWLRDNMQAXON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-3.90

Polar Surface Area

54.667

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G498-0287 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G498-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G498-0287?
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What is the minimum amount of G498-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G498-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G498-0287
  • 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 G498-0287 available by request