G497-0227 Screening compound: 4-(tert-butyl)-N~1~-[4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]benzamide

G497-0227 Screening compound: 4-(tert-butyl)-N~1~-[4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]benzamide
G497-0227 Screening compound: 4-(tert-butyl)-N~1~-[4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G497-0227
4-(tert-butyl)-N~1~-[4-(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

G497-0227

Molecular Formula

C20H24N2O3S (C20 H24 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)ccc1N(CCC1)S1(=O)=O)=O

InChI

InChI=1S/C20H24N2O3S/c1-20(2,3)16-7-5-15(6-8-16)19(23)21-17-9-11-18(12-10-17)22-13-4-14-26(22,24)25/h5-12H,4,13-14H2,1-3H3,(H,21,23)

InChI Key

WIFLMEUCYUNIBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

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

3.788

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-3.88

Polar Surface Area

55.365

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G497-0227 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with G497-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G497-0227?
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What is the minimum amount of G497-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G497-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G497-0227
  • 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 G497-0227 available by request