E823-0127 Screening compound: 3-(3-{[4-(4-tert-butylbenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(morpholin-4-yl)propan-1-one

E823-0127 Screening compound: 3-(3-{[4-(4-tert-butylbenzenesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(morpholin-4-yl)propan-1-one
E823-0127 Screening compound: 3-(3-{[4-(4-tert-butylbenzenesulfonyl)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 E823-0127
3-(3-{[4-(4-tert-butylbenzenesulfonyl)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

E823-0127

Molecular Formula

C24H35N5O5S (C24 H35 N5 O5 S)

Compound Name

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

IUPAC name

3-(3-{[4-(4-tert-butylbenzenesulfonyl)piperazin-1-yl]methyl}-124-oxadiazol-5-yl)-1-(morpholin-4-yl)propan-1-one

SMILES

CC(C)(C)c(cc1)ccc1S(N1CCN(Cc2noc(CCC(N3CCOCC3)=O)n2)CC1)(=O)=O

InChI

InChI=1S/C24H35N5O5S/c1-24(2,3)19-4-6-20(7-5-19)35(31,32)29-12-10-27(11-13-29)18-21-25-22(34-26-21)8-9-23(30)28-14-16-33-17-15-28/h4-7H,8-18H2,1-3H3

InChI Key

XAAKTJLQYQGVKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920503

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

505.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

2.179

Water Solubility, LogSw

-2.55

Polar Surface Area

92.124

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

E823-0127 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E823-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E823-0127?
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What is the minimum amount of E823-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E823-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E823-0127
  • 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 E823-0127 available by request