E734-1818 Screening compound: N-[(2-chlorophenyl)methyl]-2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

E734-1818 Screening compound: N-[(2-chlorophenyl)methyl]-2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
E734-1818 Screening compound: N-[(2-chlorophenyl)methyl]-2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-1818
N-[(2-chlorophenyl)methyl]-2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

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

E734-1818

Molecular Formula

C22H24ClN3O5S (C22 H24 ClN3 O5 S)

Compound Name

N-[(2-chlorophenyl)methyl]-2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-[6-(cyclopentylsulfamoyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

O=C(CN1c(cc(cc2)S(NC3CCCC3)(=O)=O)c2OCC1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C22H24ClN3O5S/c23-18-8-4-1-5-15(18)12-24-21(27)13-26-19-11-17(9-10-20(19)31-14-22(26)28)32(29,30)25-16-6-2-3-7-16/h1,4-5,8-11,16,25H,2-3,6-7,12-14H2,(H,24,27)

InChI Key

LYIMDNFWJQOLFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.312

Distribution Coefficient, logD

3.312

Water Solubility, LogSw

-3.50

Polar Surface Area

90.603

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E734-1818 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E734-1818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-1818?
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What is the minimum amount of E734-1818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-1818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-1818
  • 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 E734-1818 available by request