J057-0480 Screening compound: 1-{3-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}piperidine

J057-0480 Screening compound: 1-{3-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}piperidine
J057-0480 Screening compound: 1-{3-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-0480
1-{3-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}piperidine

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

J057-0480

Molecular Formula

C19H18BrN3O3S (C19 H18 BrN3 O3 S)

Compound Name

1-{3-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl}piperidine

IUPAC name

1-{3-[5-(2-bromophenyl)-134-oxadiazol-2-yl]benzenesulfonyl}piperidine

SMILES

O=S(c1cccc(-c2nnc(-c(cccc3)c3Br)o2)c1)(N1CCCCC1)=O

InChI

InChI=1S/C19H18BrN3O3S/c20-17-10-3-2-9-16(17)19-22-21-18(26-19)14-7-6-8-15(13-14)27(24,25)23-11-4-1-5-12-23/h2-3,6-10,13H,1,4-5,11-12H2

InChI Key

HNHZZVBBXCOMRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.738

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-4.04

Polar Surface Area

62.193

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

J057-0480 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J057-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-0480?
Check Price and Availability of J057-0480, 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 J057-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-0480
  • 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 J057-0480 available by request