K786-3926 Screening compound: 10-(3-chlorobenzyl)-N~8~-{2-[4-(2-fluorophenyl)piperazino]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

K786-3926 Screening compound: 10-(3-chlorobenzyl)-N~8~-{2-[4-(2-fluorophenyl)piperazino]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
K786-3926 Screening compound: 10-(3-chlorobenzyl)-N~8~-{2-[4-(2-fluorophenyl)piperazino]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3926
10-(3-chlorobenzyl)-N~8~-{2-[4-(2-fluorophenyl)piperazino]ethyl}-11-oxo-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

K786-3926

Molecular Formula

C33H30ClFN4O2S (C33 H30 ClFN4 O2 S)

Compound Name

10-(3-chlorobenzyl)-N~8~-{2-[4-(2-fluorophenyl)piperazino]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(3-chlorophenyl)methyl]-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxamide

SMILES

O=C(c(cc1)cc(N2Cc3cccc(Cl)c3)c1Sc(cccc1)c1C2=O)NCCN(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C33H30ClFN4O2S/c34-25-7-5-6-23(20-25)22-39-29-21-24(12-13-31(29)42-30-11-4-1-8-26(30)33(39)41)32(40)36-14-15-37-16-18-38(19-17-37)28-10-3-2-9-27(28)35/h1-13,20-21H,14-19,22H2,(H,36,40)

InChI Key

FGSGUNKOHSBAPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

601.14

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.481

Distribution Coefficient, logD

6.471

Water Solubility, LogSw

-6.33

Polar Surface Area

46.597

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.20

K786-3926 in Drug Discovery

Included in Screening Libraries

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

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 K786-3926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3926?
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What is the minimum amount of K786-3926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3926
  • 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 K786-3926 available by request