K788-9233 Screening compound: 10-(3-chlorobenzyl)-N~8~-[3-(cyclohexylsulfanyl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

K788-9233 Screening compound: 10-(3-chlorobenzyl)-N~8~-[3-(cyclohexylsulfanyl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
K788-9233 Screening compound: 10-(3-chlorobenzyl)-N~8~-[3-(cyclohexylsulfanyl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9233
10-(3-chlorobenzyl)-N~8~-[3-(cyclohexylsulfanyl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-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

K788-9233

Molecular Formula

C30H31ClN2O4S2 (C30 H31 ClN2 O4 S2)

Compound Name

10-(3-chlorobenzyl)-N~8~-[3-(cyclohexylsulfanyl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(3-chlorophenyl)methyl]-N-[3-(cyclohexylsulfanyl)propyl]-2210-trioxo-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxamide

SMILES

O=C(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3(=O)=O)NCCCSC1CCCCC1

InChI

InChI=1S/C30H31ClN2O4S2/c31-23-9-6-8-21(18-23)20-33-26-19-22(29(34)32-16-7-17-38-24-10-2-1-3-11-24)14-15-28(26)39(36,37)27-13-5-4-12-25(27)30(33)35/h4-6,8-9,12-15,18-19,24H,1-3,7,10-11,16-17,20H2,(H,32,34)

InChI Key

CZQCHPOOTXGEHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.17

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.907

Distribution Coefficient, logD

5.907

Water Solubility, LogSw

-5.94

Polar Surface Area

68.828

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K788-9233 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K788-9233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9233?
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What is the minimum amount of K788-9233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9233
  • 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 K788-9233 available by request