E470-2198 Screening compound: 1-{6-chloro-7-[(4-phenylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl}ethan-1-one

E470-2198 Screening compound: 1-{6-chloro-7-[(4-phenylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl}ethan-1-one
E470-2198 Screening compound: 1-{6-chloro-7-[(4-phenylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-2198
1-{6-chloro-7-[(4-phenylpiperazin-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

E470-2198

Molecular Formula

C20H22ClN3O4S (C20 H22 ClN3 O4 S)

Compound Name

1-{6-chloro-7-[(4-phenylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl}ethan-1-one

IUPAC name

1-{6-chloro-7-[(4-phenylpiperazin-1-yl)sulfonyl]-34-dihydro-2H-14-benzoxazin-4-yl}ethan-1-one

SMILES

CC(N(CCOc1c2)c1cc(Cl)c2S(N(CC1)CCN1c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C20H22ClN3O4S/c1-15(25)24-11-12-28-19-14-20(17(21)13-18(19)24)29(26,27)23-9-7-22(8-10-23)16-5-3-2-4-6-16/h2-6,13-14H,7-12H2,1H3

InChI Key

JJEXSJGQLWWCMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.39

Polar Surface Area

59.213

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E470-2198 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 E470-2198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-2198?
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What is the minimum amount of E470-2198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-2198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-2198
  • 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 E470-2198 available by request