K788-5819 Screening compound: 2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclooctylacetamide

K788-5819 Screening compound: 2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclooctylacetamide
K788-5819 Screening compound: 2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclooctylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5819
2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclooctylacetamide

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

K788-5819

Molecular Formula

C26H29BrN2O3S (C26 H29 BrN2 O3 S)

Compound Name

2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclooctylacetamide

IUPAC name

2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]-N-cyclooctylacetamide

SMILES

COc(ccc(/C=C1/Sc(cccc2)c2N(CC(NC2CCCCCCC2)=O)C1=O)c1)c1Br

InChI

InChI=1S/C26H29BrN2O3S/c1-32-22-14-13-18(15-20(22)27)16-24-26(31)29(21-11-7-8-12-23(21)33-24)17-25(30)28-19-9-5-3-2-4-6-10-19/h7-8,11-16,19H,2-6,9-10,17H2,1H3,(H,28,30)

InChI Key

OLQPYSRGOKTHIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.197

Distribution Coefficient, logD

6.197

Water Solubility, LogSw

-5.32

Polar Surface Area

47.228

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

K788-5819 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-5819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5819?
Check Price and Availability of K788-5819, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K788-5819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5819
  • 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 K788-5819 available by request