K786-8425 Screening compound: N-[2-(dibutylamino)ethyl]-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K786-8425 Screening compound: N-[2-(dibutylamino)ethyl]-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K786-8425 Screening compound: N-[2-(dibutylamino)ethyl]-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8425
N-[2-(dibutylamino)ethyl]-2-[3-oxo-6-(piperidine-1-sulfonyl)-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

K786-8425

Molecular Formula

C25H40N4O4S2 (C25 H40 N4 O4 S2)

Compound Name

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

IUPAC name

N-[2-(dibutylamino)ethyl]-2-[3-oxo-6-(piperidine-1-sulfonyl)-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

CCCCN(CCCC)CCNC(CN1c(cc(cc2)S(N3CCCCC3)(=O)=O)c2SCC1=O)=O

InChI

InChI=1S/C25H40N4O4S2/c1-3-5-13-27(14-6-4-2)17-12-26-24(30)19-29-22-18-21(10-11-23(22)34-20-25(29)31)35(32,33)28-15-8-7-9-16-28/h10-11,18H,3-9,12-17,19-20H2,1-2H3,(H,26,30)

InChI Key

KFRAOJZJKFMVIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.75

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.638

Distribution Coefficient, logD

2.062

Water Solubility, LogSw

-3.67

Polar Surface Area

75.833

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

K786-8425 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K786-8425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8425?
Check Price and Availability of K786-8425, 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 K786-8425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8425
  • 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 K786-8425 available by request