K788-7179 Screening compound: (2E)-2-[(4-methoxyphenyl)methylidene]-6-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

K788-7179 Screening compound: (2E)-2-[(4-methoxyphenyl)methylidene]-6-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
K788-7179 Screening compound: (2E)-2-[(4-methoxyphenyl)methylidene]-6-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7179
(2E)-2-[(4-methoxyphenyl)methylidene]-6-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

K788-7179

Molecular Formula

C26H22N2O3S (C26 H22 N2 O3 S)

Compound Name

(2E)-2-[(4-methoxyphenyl)methylidene]-6-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-2-[(4-methoxyphenyl)methylidene]-6-(1234-tetrahydroisoquinoline-2-carbonyl)-34-dihydro-2H-14-benzothiazin-3-one

SMILES

COc1ccc(/C=C2/Sc(ccc(C(N(CC3)Cc4c3cccc4)=O)c3)c3NC2=O)cc1

InChI

InChI=1S/C26H22N2O3S/c1-31-21-9-6-17(7-10-21)14-24-25(29)27-22-15-19(8-11-23(22)32-24)26(30)28-13-12-18-4-2-3-5-20(18)16-28/h2-11,14-15H,12-13,16H2,1H3,(H,27,29)

InChI Key

CFGMNBVSMGXJIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.759

Distribution Coefficient, logD

4.759

Water Solubility, LogSw

-4.42

Polar Surface Area

48.698

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K788-7179 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K788-7179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7179?
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What is the minimum amount of K788-7179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7179
  • 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 K788-7179 available by request