K786-2657 Screening compound: 10-ethyl-N~8~-[2-(ethylanilino)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

K786-2657 Screening compound: 10-ethyl-N~8~-[2-(ethylanilino)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
K786-2657 Screening compound: 10-ethyl-N~8~-[2-(ethylanilino)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2657
10-ethyl-N~8~-[2-(ethylanilino)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-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

K786-2657

Molecular Formula

C26H27N3O2S (C26 H27 N3 O2 S)

Compound Name

10-ethyl-N~8~-[2-(ethylanilino)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-ethyl-N-{2-[ethyl(phenyl)amino]ethyl}-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

CCN(CCNC(c(cc1)cc(N2CC)c1Sc(cccc1)c1C2=O)=O)c1ccccc1

InChI

InChI=1S/C26H27N3O2S/c1-3-28(20-10-6-5-7-11-20)17-16-27-25(30)19-14-15-24-22(18-19)29(4-2)26(31)21-12-8-9-13-23(21)32-24/h5-15,18H,3-4,16-17H2,1-2H3,(H,27,30)

InChI Key

UTZKTLJXUVDXSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.939

Distribution Coefficient, logD

4.938

Water Solubility, LogSw

-4.45

Polar Surface Area

42.642

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K786-2657 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K786-2657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2657?
Check Price and Availability of K786-2657, 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 K786-2657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2657
  • 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 K786-2657 available by request