E734-1828 Screening compound: N-cyclopentyl-2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

E734-1828 Screening compound: N-cyclopentyl-2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
E734-1828 Screening compound: N-cyclopentyl-2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-1828
N-cyclopentyl-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

E734-1828

Molecular Formula

C20H27N3O5S (C20 H27 N3 O5 S)

Compound Name

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

IUPAC name

N-cyclopentyl-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)NC1CCCC1

InChI

InChI=1S/C20H27N3O5S/c24-19(21-14-5-1-2-6-14)12-23-17-11-16(9-10-18(17)28-13-20(23)25)29(26,27)22-15-7-3-4-8-15/h9-11,14-15,22H,1-8,12-13H2,(H,21,24)

InChI Key

QNBGIQVWVXLKSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.296

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-2.94

Polar Surface Area

90.694

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

E734-1828 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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 E734-1828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-1828?
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What is the minimum amount of E734-1828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-1828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-1828
  • 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 E734-1828 available by request