E515-0531 Screening compound: 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-cyclohexyl-N-methylpiperidine-1-sulfonamide

E515-0531 Screening compound: 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-cyclohexyl-N-methylpiperidine-1-sulfonamide
E515-0531 Screening compound: 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-cyclohexyl-N-methylpiperidine-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E515-0531
3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-cyclohexyl-N-methylpiperidine-1-sulfonamide

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

E515-0531

Molecular Formula

C23H35ClN4O3S (C23 H35 ClN4 O3 S)

Compound Name

3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-cyclohexyl-N-methylpiperidine-1-sulfonamide

IUPAC name

3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-cyclohexyl-N-methylpiperidine-1-sulfonamide

SMILES

CN(C1CCCCC1)S(N(CCC1)CC1C(N(CC1)CCN1c(cc1)ccc1Cl)=O)(=O)=O

InChI

InChI=1S/C23H35ClN4O3S/c1-25(21-7-3-2-4-8-21)32(30,31)28-13-5-6-19(18-28)23(29)27-16-14-26(15-17-27)22-11-9-20(24)10-12-22/h9-12,19,21H,2-8,13-18H2,1H3/t19-/m0/s1

InChI Key

ACTVKQBZFFAZDF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14894077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.07

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-3.99

Polar Surface Area

55.141

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.60

E515-0531 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E515-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E515-0531?
Check Price and Availability of E515-0531, 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 E515-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E515-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E515-0531
  • 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 E515-0531 available by request