K786-7138 Screening compound: 10-(2-chloro-4-fluorobenzyl)-11-oxo-N~8~-(1-phenylethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

K786-7138 Screening compound: 10-(2-chloro-4-fluorobenzyl)-11-oxo-N~8~-(1-phenylethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
K786-7138 Screening compound: 10-(2-chloro-4-fluorobenzyl)-11-oxo-N~8~-(1-phenylethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-7138
10-(2-chloro-4-fluorobenzyl)-11-oxo-N~8~-(1-phenylethyl)-10,11-dihydrodibenzo[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

K786-7138

Molecular Formula

C29H22ClFN2O2S (C29 H22 ClFN2 O2 S)

Compound Name

10-(2-chloro-4-fluorobenzyl)-11-oxo-N~8~-(1-phenylethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(2-chloro-4-fluorophenyl)methyl]-10-oxo-N-(1-phenylethyl)-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

CC(c1ccccc1)NC(c(cc1)cc(N2Cc(ccc(F)c3)c3Cl)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C29H22ClFN2O2S/c1-18(19-7-3-2-4-8-19)32-28(34)20-12-14-27-25(15-20)33(17-21-11-13-22(31)16-24(21)30)29(35)23-9-5-6-10-26(23)36-27/h2-16,18H,17H2,1H3,(H,32,34)/t18-/m0/s1

InChI Key

BBKUXLVBCXXYJU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15101633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.829

Distribution Coefficient, logD

6.829

Water Solubility, LogSw

-6.16

Polar Surface Area

38.977

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.30

K786-7138 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K786-7138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-7138?
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What is the minimum amount of K786-7138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-7138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-7138
  • 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 K786-7138 available by request