D030-0248 Screening compound: N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl}benzenesulfonamide

D030-0248 Screening compound: N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl}benzenesulfonamide
D030-0248 Screening compound: N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl}benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D030-0248
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl}benzenesulfonamide

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

D030-0248

Molecular Formula

C25H29N3O3S (C25 H29 N3 O3 S)

Compound Name

N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl}benzenesulfonamide

IUPAC name

N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl}benzenesulfonamide

SMILES

COc(cccc1)c1N(CC1)CCN1C(CNS(c1ccccc1)(=O)=O)c1ccccc1

InChI

InChI=1S/C25H29N3O3S/c1-31-25-15-9-8-14-23(25)27-16-18-28(19-17-27)24(21-10-4-2-5-11-21)20-26-32(29,30)22-12-6-3-7-13-22/h2-15,24,26H,16-20H2,1H3/t24-/m0/s1

InChI Key

RKEKVGQXQNBLGM-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14811140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.256

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.18

Polar Surface Area

55.576

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

D030-0248 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D030-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D030-0248?
Check Price and Availability of D030-0248, 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 D030-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D030-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D030-0248
  • 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 D030-0248 available by request