K788-8852 Screening compound: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-[(pyridin-3-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-8852 Screening compound: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-[(pyridin-3-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-8852 Screening compound: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-[(pyridin-3-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8852
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-[(pyridin-3-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

K788-8852

Molecular Formula

C24H21N3O4S (C24 H21 N3 O4 S)

Compound Name

(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-N-[(pyridin-3-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2E)-2-[(34-dimethoxyphenyl)methylidene]-3-oxo-N-[(pyridin-3-yl)methyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

COc(ccc(/C=C1/Sc(ccc(C(NCc2cnccc2)=O)c2)c2NC1=O)c1)c1OC

InChI

InChI=1S/C24H21N3O4S/c1-30-19-7-5-15(10-20(19)31-2)11-22-24(29)27-18-12-17(6-8-21(18)32-22)23(28)26-14-16-4-3-9-25-13-16/h3-13H,14H2,1-2H3,(H,26,28)(H,27,29)

InChI Key

YYIRDRNSKYHERA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.947

Distribution Coefficient, logD

2.947

Water Solubility, LogSw

-3.32

Polar Surface Area

74.036

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K788-8852 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 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 K788-8852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8852?
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What is the minimum amount of K788-8852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8852
  • 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 K788-8852 available by request