K786-5942 Screening compound: N-[2-(dibutylamino)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K786-5942 Screening compound: N-[2-(dibutylamino)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K786-5942 Screening compound: N-[2-(dibutylamino)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5942
N-[2-(dibutylamino)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

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

K786-5942

Molecular Formula

C24H38N4O5S2 (C24 H38 N4 O5 S2)

Compound Name

N-[2-(dibutylamino)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-[2-(dibutylamino)ethyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

CCCCN(CCCC)CCNC(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)=O

InChI

InChI=1S/C24H38N4O5S2/c1-3-5-10-26(11-6-4-2)12-9-25-23(29)18-28-21-17-20(7-8-22(21)34-19-24(28)30)35(31,32)27-13-15-33-16-14-27/h7-8,17H,3-6,9-16,18-19H2,1-2H3,(H,25,29)

InChI Key

NPQFBKMRGQEUET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.72

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.649

Distribution Coefficient, logD

1.072

Water Solubility, LogSw

-3.11

Polar Surface Area

83.741

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

K786-5942 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K786-5942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5942?
Check Price and Availability of K786-5942, 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 K786-5942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5942
  • 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 K786-5942 available by request