K788-9932 Screening compound: 10-(3-chlorobenzyl)-N~8~-(6-methyl-2-pyridyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

K788-9932 Screening compound: 10-(3-chlorobenzyl)-N~8~-(6-methyl-2-pyridyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
K788-9932 Screening compound: 10-(3-chlorobenzyl)-N~8~-(6-methyl-2-pyridyl)-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 K788-9932
10-(3-chlorobenzyl)-N~8~-(6-methyl-2-pyridyl)-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

K788-9932

Molecular Formula

C27H20ClN3O3S (C27 H20 ClN3 O3 S)

Compound Name

10-(3-chlorobenzyl)-N~8~-(6-methyl-2-pyridyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(3-chlorophenyl)methyl]-N-(6-methylpyridin-2-yl)-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

Cc1cccc(NC(c(cc2)cc(N(Cc3cccc(Cl)c3)C(c3c4cccc3)=O)c2S4=O)=O)n1

InChI

InChI=1S/C27H22ClN3O3S/c1-17-6-4-11-25(29-17)30-26(32)19-12-13-24-22(15-19)31(16-18-7-5-8-20(28)14-18)27(33)21-9-2-3-10-23(21)35(24)34/h2-15H,16,35H2,1H3,(H,29,30,32)

InChI Key

JYYDHJPFYGHQIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.954

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.92

Polar Surface Area

62.865

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

K788-9932 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K788-9932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9932?
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What is the minimum amount of K788-9932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9932
  • 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 K788-9932 available by request