Y050-0870 Screening compound: N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

Y050-0870 Screening compound: N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
Y050-0870 Screening compound: N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0870
N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]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

Y050-0870

Molecular Formula

C15H23N3O3S (C15 H23 N3 O3 S)

Compound Name

N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

IUPAC name

N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

SMILES

CCN(CC(N1CCN(C)CC1)=O)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C15H23N3O3S/c1-3-18(22(20,21)14-7-5-4-6-8-14)13-15(19)17-11-9-16(2)10-12-17/h4-8H,3,9-13H2,1-2H3

InChI Key

WRSYYQVOTIEXRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06634101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.518

Distribution Coefficient, logD

0.388

Water Solubility, LogSw

-2.14

Polar Surface Area

51.208

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

Y050-0870 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y050-0870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0870?
Check Price and Availability of Y050-0870, 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 Y050-0870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0870
  • 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 Y050-0870 available by request