G497-0217 Screening compound: N~1~-[4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4,5-triethoxybenzamide

G497-0217 Screening compound: N~1~-[4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4,5-triethoxybenzamide
G497-0217 Screening compound: N~1~-[4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G497-0217
N~1~-[4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4,5-triethoxybenzamide

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

G497-0217

Molecular Formula

C22H28N2O6S (C22 H28 N2 O6 S)

Compound Name

N~1~-[4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3,4,5-triethoxybenzamide

IUPAC name

N-[4-(11-dioxo-1lambda62-thiazolidin-2-yl)phenyl]-345-triethoxybenzamide

SMILES

CCOc1cc(C(Nc(cc2)ccc2N(CCC2)S2(=O)=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C22H28N2O6S/c1-4-28-19-14-16(15-20(29-5-2)21(19)30-6-3)22(25)23-17-8-10-18(11-9-17)24-12-7-13-31(24,26)27/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,25)

InChI Key

HOUUMUYLXCVWTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08004098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.733

Distribution Coefficient, logD

2.733

Water Solubility, LogSw

-3.45

Polar Surface Area

77.083

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G497-0217 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 G497-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G497-0217?
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What is the minimum amount of G497-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G497-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G497-0217
  • 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 G497-0217 available by request