L586-0993 Screening compound: 1-{4-chloro-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]benzenesulfonyl}azepane

L586-0993 Screening compound: 1-{4-chloro-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]benzenesulfonyl}azepane
L586-0993 Screening compound: 1-{4-chloro-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]benzenesulfonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound L586-0993
1-{4-chloro-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]benzenesulfonyl}azepane

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

L586-0993

Molecular Formula

C21H26ClN5O3S (C21 H26 ClN5 O3 S)

Compound Name

1-{4-chloro-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]benzenesulfonyl}azepane

IUPAC name

1-{4-chloro-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]benzenesulfonyl}azepane

SMILES

O=C(c(cc(cc1)S(N2CCCCCC2)(=O)=O)c1Cl)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C21H26ClN5O3S/c22-19-7-6-17(31(29,30)27-10-3-1-2-4-11-27)16-18(19)20(28)25-12-14-26(15-13-25)21-23-8-5-9-24-21/h5-9,16H,1-4,10-15H2

InChI Key

HLEVGNPTEZRGQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.395

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-3.88

Polar Surface Area

70.551

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

L586-0993 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 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 L586-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L586-0993?
Check Price and Availability of L586-0993, 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 L586-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L586-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L586-0993
  • 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 L586-0993 available by request