E204-0126 Screening compound: 1-{6-[(4-BENZYLPIPERAZIN-1-YL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}ETHAN-1-ONE

E204-0126 Screening compound: 1-{6-[(4-BENZYLPIPERAZIN-1-YL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}ETHAN-1-ONE
E204-0126 Screening compound: 1-{6-[(4-BENZYLPIPERAZIN-1-YL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound E204-0126
1-{6-[(4-BENZYLPIPERAZIN-1-YL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}ETHAN-1-ONE

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

E204-0126

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

1-{6-[(4-BENZYLPIPERAZIN-1-YL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}ETHAN-1-ONE

IUPAC name

n/a

SMILES

CC(N1c(cc(cc2)S(N3CCN(Cc4ccccc4)CC3)(=O)=O)c2OCC1)=O

InChI

InChI=1S/C21H25N3O4S/c1-17(25)24-13-14-28-21-8-7-19(15-20(21)24)29(26,27)23-11-9-22(10-12-23)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3

InChI Key

HUZWCBZGYOWANT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.111

Distribution Coefficient, logD

2.104

Water Solubility, LogSw

-2.79

Polar Surface Area

59.493

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E204-0126 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E204-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E204-0126?
Check Price and Availability of E204-0126, 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 E204-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E204-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E204-0126
  • 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 E204-0126 available by request