K788-7469 Screening compound: N~6~-{3-[butyl(ethyl)amino]propyl}-2-[(E)-1-(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-7469 Screening compound: N~6~-{3-[butyl(ethyl)amino]propyl}-2-[(E)-1-(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-7469 Screening compound: N~6~-{3-[butyl(ethyl)amino]propyl}-2-[(E)-1-(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7469
N~6~-{3-[butyl(ethyl)amino]propyl}-2-[(E)-1-(2-fluorophenyl)methylidene]-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

K788-7469

Molecular Formula

C25H30FN3O2S (C25 H30 FN3 O2 S)

Compound Name

N~6~-{3-[butyl(ethyl)amino]propyl}-2-[(E)-1-(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2E)-N-{3-[butyl(ethyl)amino]propyl}-2-[(2-fluorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CCCCN(CC)CCCNC(c(cc1)cc(NC2=O)c1S/C2=C/c(cccc1)c1F)=O

InChI

InChI=1S/C25H30FN3O2S/c1-3-5-14-29(4-2)15-8-13-27-24(30)19-11-12-22-21(16-19)28-25(31)23(32-22)17-18-9-6-7-10-20(18)26/h6-7,9-12,16-17H,3-5,8,13-15H2,1-2H3,(H,27,30)(H,28,31)

InChI Key

SFKGIPDYIVKCBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.932

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-4.39

Polar Surface Area

53.036

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

10.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

K788-7469 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 K788-7469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7469?
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What is the minimum amount of K788-7469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7469
  • 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 K788-7469 available by request