K788-8850 Screening compound: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-(2,3-dimethylcyclohexyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-8850 Screening compound: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-(2,3-dimethylcyclohexyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-8850 Screening compound: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-(2,3-dimethylcyclohexyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8850
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-(2,3-dimethylcyclohexyl)-3-oxo-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

K788-8850

Molecular Formula

C26H30N2O4S (C26 H30 N2 O4 S)

Compound Name

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

IUPAC name

(2E)-2-[(34-dimethoxyphenyl)methylidene]-N-(23-dimethylcyclohexyl)-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CC(CCC1)C(C)C1NC(c(cc1)cc(NC2=O)c1S/C2=C/c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C26H30N2O4S/c1-15-6-5-7-19(16(15)2)27-25(29)18-9-11-23-20(14-18)28-26(30)24(33-23)13-17-8-10-21(31-3)22(12-17)32-4/h8-16,19H,5-7H2,1-4H3,(H,27,29)(H,28,30)

InChI Key

YLEOSPCGUSWSJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.600

Distribution Coefficient, logD

4.600

Water Solubility, LogSw

-4.45

Polar Surface Area

64.634

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.50

K788-8850 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 K788-8850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8850?
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What is the minimum amount of K788-8850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8850
  • 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 K788-8850 available by request