G025-0036 Screening compound: 4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(4-methoxyphenyl)benzamide

G025-0036 Screening compound: 4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(4-methoxyphenyl)benzamide
G025-0036 Screening compound: 4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(4-methoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0036
4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(4-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

G025-0036

Molecular Formula

C17H18N2O4S (C17 H18 N2 O4 S)

Compound Name

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

IUPAC name

4-(11-dioxo-1lambda62-thiazolidin-2-yl)-N-(4-methoxyphenyl)benzamide

SMILES

COc(cc1)ccc1NC(c(cc1)ccc1N(CCC1)S1(=O)=O)=O

InChI

InChI=1S/C17H18N2O4S/c1-23-16-9-5-14(6-10-16)18-17(20)13-3-7-15(8-4-13)19-11-2-12-24(19,21)22/h3-10H,2,11-12H2,1H3,(H,18,20)

InChI Key

DKSUEASDOGHOPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656024

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

1.976

Distribution Coefficient, logD

1.976

Water Solubility, LogSw

-2.73

Polar Surface Area

62.909

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G025-0036 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 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 G025-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0036?
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What is the minimum amount of G025-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0036
  • 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 G025-0036 available by request