G025-0158 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(2-methoxyethyl)benzamide

G025-0158 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(2-methoxyethyl)benzamide
G025-0158 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0158
3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(2-methoxyethyl)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

G025-0158

Molecular Formula

C13H18N2O4S (C13 H18 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(c1cccc(N(CCC2)S2(=O)=O)c1)=O

InChI

InChI=1S/C13H18N2O4S/c1-19-8-6-14-13(16)11-4-2-5-12(10-11)15-7-3-9-20(15,17)18/h2,4-5,10H,3,6-9H2,1H3,(H,14,16)

InChI Key

FRJRTEVHEXBYRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.236

Distribution Coefficient, logD

0.236

Water Solubility, LogSw

-2.31

Polar Surface Area

65.143

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

G025-0158 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G025-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0158?
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What is the minimum amount of G025-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0158
  • 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 G025-0158 available by request