K788-8378 Screening compound: 10-(3-chlorobenzyl)-N~8~-[3-(2-ethylpiperidino)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

K788-8378 Screening compound: 10-(3-chlorobenzyl)-N~8~-[3-(2-ethylpiperidino)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
K788-8378 Screening compound: 10-(3-chlorobenzyl)-N~8~-[3-(2-ethylpiperidino)propyl]-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 K788-8378
10-(3-chlorobenzyl)-N~8~-[3-(2-ethylpiperidino)propyl]-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

K788-8378

Molecular Formula

C31H34ClN3O3S (C31 H34 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC1N(CCCNC(c(cc2)cc(N(Cc3cccc(Cl)c3)C(c3c4cccc3)=O)c2S4=O)=O)CCCC1

InChI

InChI=1S/C31H36ClN3O3S/c1-2-25-11-5-6-17-34(25)18-8-16-33-30(36)23-14-15-29-27(20-23)35(21-22-9-7-10-24(32)19-22)31(37)26-12-3-4-13-28(26)39(29)38/h3-4,7,9-10,12-15,19-20,25H,2,5-6,8,11,16-18,21,39H2,1H3,(H,33,36)

InChI Key

LJCAXPHDCMSAJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.15

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

1.911

Water Solubility, LogSw

-4.73

Polar Surface Area

58.834

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

10.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

K788-8378 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K788-8378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8378?
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What is the minimum amount of K788-8378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8378
  • 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 K788-8378 available by request