J057-0981 Screening compound: 1-methyl-4-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}piperazine

J057-0981 Screening compound: 1-methyl-4-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}piperazine
J057-0981 Screening compound: 1-methyl-4-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-0981
1-methyl-4-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}piperazine

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

J057-0981

Molecular Formula

C20H22N4O3S (C20 H22 N4 O3 S)

Compound Name

1-methyl-4-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}piperazine

IUPAC name

1-methyl-4-{3-[5-(4-methylphenyl)-134-oxadiazol-2-yl]benzenesulfonyl}piperazine

SMILES

Cc(cc1)ccc1-c1nnc(-c2cccc(S(N3CCN(C)CC3)(=O)=O)c2)o1

InChI

InChI=1S/C20H22N4O3S/c1-15-6-8-16(9-7-15)19-21-22-20(27-19)17-4-3-5-18(14-17)28(25,26)24-12-10-23(2)11-13-24/h3-9,14H,10-13H2,1-2H3

InChI Key

CQINCQIQNFMNIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.888

Distribution Coefficient, logD

2.826

Water Solubility, LogSw

-3.26

Polar Surface Area

65.670

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

J057-0981 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J057-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-0981?
Check Price and Availability of J057-0981, 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 J057-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-0981
  • 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 J057-0981 available by request