K788-6188 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

K788-6188 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
K788-6188 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6188
N-[2-(3,4-diethoxyphenyl)ethyl]-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

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

K788-6188

Molecular Formula

C36H36N2O4S (C36 H36 N2 O4 S)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}benzamide

SMILES

CCOc(ccc(CCNC(c1ccc(/C=C2/Sc(cccc3)c3N(Cc3ccc(C)cc3)C2=O)cc1)=O)c1)c1OCC

InChI

InChI=1S/C36H36N2O4S/c1-4-41-31-19-16-27(22-32(31)42-5-2)20-21-37-35(39)29-17-14-26(15-18-29)23-34-36(40)38(24-28-12-10-25(3)11-13-28)30-8-6-7-9-33(30)43-34/h6-19,22-23H,4-5,20-21,24H2,1-3H3,(H,37,39)

InChI Key

MBHNICSUGGOYQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.507

Distribution Coefficient, logD

6.507

Water Solubility, LogSw

-5.58

Polar Surface Area

53.745

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K788-6188 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K788-6188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6188?
Check Price and Availability of K788-6188, 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 K788-6188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6188
  • 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 K788-6188 available by request