J057-0479 Screening compound: 2-(2-bromophenyl)-5-[3-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole

J057-0479 Screening compound: 2-(2-bromophenyl)-5-[3-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole
J057-0479 Screening compound: 2-(2-bromophenyl)-5-[3-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-0479
2-(2-bromophenyl)-5-[3-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole

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

J057-0479

Molecular Formula

C18H16BrN3O3S (C18 H16 BrN3 O3 S)

Compound Name

2-(2-bromophenyl)-5-[3-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole

IUPAC name

2-(2-bromophenyl)-5-[3-(pyrrolidine-1-sulfonyl)phenyl]-134-oxadiazole

SMILES

O=S(c1cccc(-c2nnc(-c(cccc3)c3Br)o2)c1)(N1CCCC1)=O

InChI

InChI=1S/C18H16BrN3O3S/c19-16-9-2-1-8-15(16)18-21-20-17(25-18)13-6-5-7-14(12-13)26(23,24)22-10-3-4-11-22/h1-2,5-9,12H,3-4,10-11H2

InChI Key

IEIITNCJQDRXBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.31

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

3.407

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-3.86

Polar Surface Area

62.559

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

J057-0479 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J057-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-0479?
Check Price and Availability of J057-0479, 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 J057-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-0479
  • 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 J057-0479 available by request