J057-1227 Screening compound: 5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methyl-N-(pyridin-3-yl)benzene-1-sulfonamide

J057-1227 Screening compound: 5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methyl-N-(pyridin-3-yl)benzene-1-sulfonamide
J057-1227 Screening compound: 5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methyl-N-(pyridin-3-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-1227
5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methyl-N-(pyridin-3-yl)benzene-1-sulfonamide

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

J057-1227

Molecular Formula

C22H20N4O5S (C22 H20 N4 O5 S)

Compound Name

5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methyl-N-(pyridin-3-yl)benzene-1-sulfonamide

IUPAC name

5-[5-(34-dimethoxyphenyl)-134-oxadiazol-2-yl]-2-methyl-N-(pyridin-3-yl)benzene-1-sulfonamide

SMILES

Cc(ccc(-c1nnc(-c(cc2)cc(OC)c2OC)o1)c1)c1S(Nc1cnccc1)(=O)=O

InChI

InChI=1S/C22H20N4O5S/c1-14-6-7-16(12-20(14)32(27,28)26-17-5-4-10-23-13-17)22-25-24-21(31-22)15-8-9-18(29-2)19(11-15)30-3/h4-13,26H,1-3H3

InChI Key

NDFPJZQHRZQSHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.105

Distribution Coefficient, logD

2.943

Water Solubility, LogSw

-3.15

Polar Surface Area

95.911

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

J057-1227 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J057-1227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-1227?
Check Price and Availability of J057-1227, 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 J057-1227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-1227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-1227
  • 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 J057-1227 available by request