E823-0972 Screening compound: 3-[3-({4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-phenylpropanamide

E823-0972 Screening compound: 3-[3-({4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-phenylpropanamide
E823-0972 Screening compound: 3-[3-({4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E823-0972
3-[3-({4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-phenylpropanamide

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

E823-0972

Molecular Formula

C22H26BrN5O4S2 (C22 H26 BrN5 O4 S2)

Compound Name

3-[3-({4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-phenylpropanamide

IUPAC name

3-[3-({4-[(5-bromothiophen-2-yl)sulfonyl]piperazin-1-yl}methyl)-124-oxadiazol-5-yl]-N-ethyl-N-phenylpropanamide

SMILES

CCN(C(CCc1nc(CN(CC2)CCN2S(c(s2)ccc2Br)(=O)=O)no1)=O)c1ccccc1

InChI

InChI=1S/C22H26BrN5O4S2/c1-2-28(17-6-4-3-5-7-17)21(29)10-9-20-24-19(25-32-20)16-26-12-14-27(15-13-26)34(30,31)22-11-8-18(23)33-22/h3-8,11H,2,9-10,12-16H2,1H3

InChI Key

PRIOASQMCRJGFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.399

Distribution Coefficient, logD

3.399

Water Solubility, LogSw

-3.60

Polar Surface Area

83.933

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E823-0972 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 E823-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E823-0972?
Check Price and Availability of E823-0972, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E823-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E823-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E823-0972
  • 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 E823-0972 available by request