E823-0132 Screening compound: 3-[3-({4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-1-(morpholin-4-yl)propan-1-one

E823-0132 Screening compound: 3-[3-({4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-1-(morpholin-4-yl)propan-1-one
E823-0132 Screening compound: 3-[3-({4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-1-(morpholin-4-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E823-0132
3-[3-({4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-1-(morpholin-4-yl)propan-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

E823-0132

Molecular Formula

C18H24BrN5O5S2 (C18 H24 BrN5 O5 S2)

Compound Name

3-[3-({4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-1-(morpholin-4-yl)propan-1-one

IUPAC name

3-[3-({4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-124-oxadiazol-5-yl]-1-(morpholin-4-yl)propan-1-one

SMILES

O=C(CCc1nc(CN(CC2)CCN2S(c(s2)ccc2Br)(=O)=O)no1)N1CCOCC1

InChI

InChI=1S/C18H24BrN5O5S2/c19-14-1-4-18(30-14)31(26,27)24-7-5-22(6-8-24)13-15-20-16(29-21-15)2-3-17(25)23-9-11-28-12-10-23/h1,4H,2-3,5-13H2

InChI Key

LJHWCYQMXQLPGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920506

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

534.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.913

Distribution Coefficient, logD

0.913

Water Solubility, LogSw

-2.18

Polar Surface Area

93.143

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

E823-0132 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Purinergic Library (3321 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 E823-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E823-0132?
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What is the minimum amount of E823-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E823-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E823-0132
  • 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 E823-0132 available by request