L586-0969 Screening compound: 1'-[5-(azepane-1-sulfonyl)-2-chlorobenzoyl]-1,4'-bipiperidine

L586-0969 Screening compound: 1'-[5-(azepane-1-sulfonyl)-2-chlorobenzoyl]-1,4'-bipiperidine
L586-0969 Screening compound: 1'-[5-(azepane-1-sulfonyl)-2-chlorobenzoyl]-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L586-0969
1'-[5-(azepane-1-sulfonyl)-2-chlorobenzoyl]-1,4'-bipiperidine

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

L586-0969

Molecular Formula

C23H34ClN3O3S (C23 H34 ClN3 O3 S)

Compound Name

1'-[5-(azepane-1-sulfonyl)-2-chlorobenzoyl]-1,4'-bipiperidine

IUPAC name

1'-[5-(azepane-1-sulfonyl)-2-chlorobenzoyl]-14'-bipiperidine

SMILES

O=C(c(cc(cc1)S(N2CCCCCC2)(=O)=O)c1Cl)N(CC1)CCC1N1CCCCC1

InChI

InChI=1S/C23H34ClN3O3S/c24-22-9-8-20(31(29,30)27-14-6-1-2-7-15-27)18-21(22)23(28)26-16-10-19(11-17-26)25-12-4-3-5-13-25/h8-9,18-19H,1-7,10-17H2

InChI Key

MFNKYALIMWXLSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.06

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

0.504

Water Solubility, LogSw

-4.41

Polar Surface Area

52.022

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.60

L586-0969 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L586-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L586-0969?
Check Price and Availability of L586-0969, 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 L586-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L586-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L586-0969
  • 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 L586-0969 available by request