K788-8593 Screening compound: 10-(3-chlorobenzyl)-8-[(4-methylpiperazino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

K788-8593 Screening compound: 10-(3-chlorobenzyl)-8-[(4-methylpiperazino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
K788-8593 Screening compound: 10-(3-chlorobenzyl)-8-[(4-methylpiperazino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8593
10-(3-chlorobenzyl)-8-[(4-methylpiperazino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

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

K788-8593

Molecular Formula

C26H24ClN3O4S (C26 H24 ClN3 O4 S)

Compound Name

10-(3-chlorobenzyl)-8-[(4-methylpiperazino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

IUPAC name

9-[(3-chlorophenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-2210-trione

SMILES

CN(CC1)CCN1C(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3(=O)=O)=O

InChI

InChI=1S/C26H24ClN3O4S/c1-28-11-13-29(14-12-28)25(31)19-9-10-24-22(16-19)30(17-18-5-4-6-20(27)15-18)26(32)21-7-2-3-8-23(21)35(24,33)34/h2-10,15-16H,11-14,17H2,1H3

InChI Key

GGVQHQRRYCKMMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.039

Distribution Coefficient, logD

2.909

Water Solubility, LogSw

-3.70

Polar Surface Area

64.506

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K788-8593 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K788-8593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8593?
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What is the minimum amount of K788-8593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8593
  • 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 K788-8593 available by request