E823-0043 Screening compound: 3-[3-({4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide

E823-0043 Screening compound: 3-[3-({4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide
E823-0043 Screening compound: 3-[3-({4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E823-0043
3-[3-({4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide

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

E823-0043

Molecular Formula

C21H30ClN5O4S2 (C21 H30 ClN5 O4 S2)

Compound Name

3-[3-({4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide

IUPAC name

3-[3-({4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-124-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide

SMILES

CN(C1CCCCC1)C(CCc1nc(CN(CC2)CCN2S(c(s2)ccc2Cl)(=O)=O)no1)=O

InChI

InChI=1S/C21H30ClN5O4S2/c1-25(16-5-3-2-4-6-16)20(28)9-8-19-23-18(24-31-19)15-26-11-13-27(14-12-26)33(29,30)21-10-7-17(22)32-21/h7,10,16H,2-6,8-9,11-15H2,1H3

InChI Key

GIIHYZBPRZOEPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920457

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

516.09

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.793

Distribution Coefficient, logD

2.793

Water Solubility, LogSw

-3.36

Polar Surface Area

83.788

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

E823-0043 in Drug Discovery

Included in Screening Libraries

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

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 E823-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E823-0043?
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What is the minimum amount of E823-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E823-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E823-0043
  • 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 E823-0043 available by request