K788-9907 Screening compound: N~8~-(4-bromo-3-methylphenyl)-10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

K788-9907 Screening compound: N~8~-(4-bromo-3-methylphenyl)-10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
K788-9907 Screening compound: N~8~-(4-bromo-3-methylphenyl)-10-(3-chlorobenzyl)-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 K788-9907
N~8~-(4-bromo-3-methylphenyl)-10-(3-chlorobenzyl)-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

K788-9907

Molecular Formula

C28H20BrClN2O3S (C28 H20 BrClN2 O3 S)

Compound Name

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

IUPAC name

N-(4-bromo-3-methylphenyl)-9-[(3-chlorophenyl)methyl]-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

Cc(cc(cc1)NC(c(cc2)cc(N(Cc3cc(Cl)ccc3)C(c3c4cccc3)=O)c2S4=O)=O)c1Br

InChI

InChI=1S/C28H22BrClN2O3S/c1-17-13-21(10-11-23(17)29)31-27(33)19-9-12-26-24(15-19)32(16-18-5-4-6-20(30)14-18)28(34)22-7-2-3-8-25(22)36(26)35/h2-15H,16,36H2,1H3,(H,31,33)

InChI Key

WTRHDNWFOYZJRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.269

Distribution Coefficient, logD

6.269

Water Solubility, LogSw

-5.96

Polar Surface Area

53.876

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

K788-9907 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K788-9907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9907?
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What is the minimum amount of K788-9907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9907
  • 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 K788-9907 available by request