K786-3602 Screening compound: 10-(3-chlorobenzyl)-11-oxo-N~8~-(3-piperidinopropyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

K786-3602 Screening compound: 10-(3-chlorobenzyl)-11-oxo-N~8~-(3-piperidinopropyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
K786-3602 Screening compound: 10-(3-chlorobenzyl)-11-oxo-N~8~-(3-piperidinopropyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3602
10-(3-chlorobenzyl)-11-oxo-N~8~-(3-piperidinopropyl)-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

K786-3602

Molecular Formula

C29H30ClN3O2S (C29 H30 ClN3 O2 S)

Compound Name

10-(3-chlorobenzyl)-11-oxo-N~8~-(3-piperidinopropyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(3-chlorophenyl)methyl]-10-oxo-N-[3-(piperidin-1-yl)propyl]-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)NCCCN1CCCCC1

InChI

InChI=1S/C29H30ClN3O2S/c30-23-9-6-8-21(18-23)20-33-25-19-22(28(34)31-14-7-17-32-15-4-1-5-16-32)12-13-27(25)36-26-11-3-2-10-24(26)29(33)35/h2-3,6,8-13,18-19H,1,4-5,7,14-17,20H2,(H,31,34)

InChI Key

KHQPXNQBVRANJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.09

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.802

Distribution Coefficient, logD

3.206

Water Solubility, LogSw

-5.86

Polar Surface Area

43.638

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

K786-3602 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K786-3602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3602?
Check Price and Availability of K786-3602, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K786-3602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3602
  • 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 K786-3602 available by request