E532-0162 Screening compound: N-{2-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

E532-0162 Screening compound: N-{2-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
E532-0162 Screening compound: N-{2-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E532-0162
N-{2-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

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

E532-0162

Molecular Formula

C25H29N3O3S (C25 H29 N3 O3 S)

Compound Name

N-{2-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

IUPAC name

N-{2-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl}-2-methyl-56-dihydro-14-oxathiine-3-carboxamide

SMILES

CC1=C(C(Nc(cccc2)c2C(NC2CCN(Cc3ccccc3)CC2)=O)=O)SCCO1

InChI

InChI=1S/C25H29N3O3S/c1-18-23(32-16-15-31-18)25(30)27-22-10-6-5-9-21(22)24(29)26-20-11-13-28(14-12-20)17-19-7-3-2-4-8-19/h2-10,20H,11-17H2,1H3,(H,26,29)(H,27,30)

InChI Key

PNJHSPHUESUOAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.698

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-3.37

Polar Surface Area

58.582

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

E532-0162 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E532-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E532-0162?
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What is the minimum amount of E532-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E532-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E532-0162
  • 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 E532-0162 available by request