G025-0166 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methoxyphenyl)benzamide

G025-0166 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methoxyphenyl)benzamide
G025-0166 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0166
3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methoxyphenyl)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

G025-0166

Molecular Formula

C17H18N2O4S (C17 H18 N2 O4 S)

Compound Name

3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methoxyphenyl)benzamide

IUPAC name

3-(11-dioxo-1lambda62-thiazolidin-2-yl)-N-(3-methoxyphenyl)benzamide

SMILES

COc1cccc(NC(c2cccc(N(CCC3)S3(=O)=O)c2)=O)c1

InChI

InChI=1S/C17H18N2O4S/c1-23-16-8-3-6-14(12-16)18-17(20)13-5-2-7-15(11-13)19-9-4-10-24(19,21)22/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,18,20)

InChI Key

ZPMUGCZJLSLDTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.143

Distribution Coefficient, logD

2.143

Water Solubility, LogSw

-2.96

Polar Surface Area

62.909

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G025-0166 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G025-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0166?
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What is the minimum amount of G025-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0166
  • 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 G025-0166 available by request