G025-0134 Screening compound: N~1~-(2,4-dimethoxyphenyl)-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

G025-0134 Screening compound: N~1~-(2,4-dimethoxyphenyl)-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
G025-0134 Screening compound: N~1~-(2,4-dimethoxyphenyl)-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0134
N~1~-(2,4-dimethoxyphenyl)-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)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

G025-0134

Molecular Formula

C18H20N2O5S (C18 H20 N2 O5 S)

Compound Name

N~1~-(2,4-dimethoxyphenyl)-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

IUPAC name

N-(24-dimethoxyphenyl)-3-(11-dioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

COc(cc1)cc(OC)c1NC(c1cccc(N(CCC2)S2(=O)=O)c1)=O

InChI

InChI=1S/C18H20N2O5S/c1-24-15-7-8-16(17(12-15)25-2)19-18(21)13-5-3-6-14(11-13)20-9-4-10-26(20,22)23/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,21)

InChI Key

QBXJIVSLEASTFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08140790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.020

Distribution Coefficient, logD

2.018

Water Solubility, LogSw

-2.94

Polar Surface Area

69.842

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G025-0134 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Proline Kinase Library (2105 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G025-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0134?
Check Price and Availability of G025-0134, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G025-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0134
  • 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 G025-0134 available by request