K788-8383 Screening compound: 10-(3-chlorobenzyl)-N~8~-[2-(2-methylpiperidino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

K788-8383 Screening compound: 10-(3-chlorobenzyl)-N~8~-[2-(2-methylpiperidino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
K788-8383 Screening compound: 10-(3-chlorobenzyl)-N~8~-[2-(2-methylpiperidino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8383
10-(3-chlorobenzyl)-N~8~-[2-(2-methylpiperidino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[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

K788-8383

Molecular Formula

C29H30ClN3O3S (C29 H30 ClN3 O3 S)

Compound Name

10-(3-chlorobenzyl)-N~8~-[2-(2-methylpiperidino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(3-chlorophenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxamide

SMILES

CC1N(CCNC(c(cc2)cc(N(Cc3cccc(Cl)c3)C(c3c4cccc3)=O)c2S4=O)=O)CCCC1

InChI

InChI=1S/C29H32ClN3O3S/c1-20-7-4-5-15-32(20)16-14-31-28(34)22-12-13-27-25(18-22)33(19-21-8-6-9-23(30)17-21)29(35)24-10-2-3-11-26(24)37(27)36/h2-3,6,8-13,17-18,20H,4-5,7,14-16,19,37H2,1H3,(H,31,34)

InChI Key

TXVSMYBXHBVXJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.09

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.998

Distribution Coefficient, logD

2.765

Water Solubility, LogSw

-4.38

Polar Surface Area

58.473

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

K788-8383 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Anticancer Library (62698 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
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K788-8383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8383?
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What is the minimum amount of K788-8383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8383
  • 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 K788-8383 available by request