Y050-0881 Screening compound: 4-bromo-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzene-1-sulfonamide

Y050-0881 Screening compound: 4-bromo-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzene-1-sulfonamide
Y050-0881 Screening compound: 4-bromo-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0881
4-bromo-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzene-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

Y050-0881

Molecular Formula

C15H22BrN3O3S (C15 H22 BrN3 O3 S)

Compound Name

4-bromo-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzene-1-sulfonamide

IUPAC name

4-bromo-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzene-1-sulfonamide

SMILES

CCN(CC(N1CCN(C)CC1)=O)S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C15H22BrN3O3S/c1-3-19(12-15(20)18-10-8-17(2)9-11-18)23(21,22)14-6-4-13(16)5-7-14/h4-7H,3,8-12H2,1-2H3

InChI Key

CRVPPSDHEDSQME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08069078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.33

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

1.537

Distribution Coefficient, logD

1.407

Water Solubility, LogSw

-2.53

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

Y050-0881 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y050-0881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0881?
Check Price and Availability of Y050-0881, 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 Y050-0881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0881
  • 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 Y050-0881 available by request