J057-1524 Screening compound: pyridin-3-yl 4-chloro-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonate

J057-1524 Screening compound: pyridin-3-yl 4-chloro-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonate
J057-1524 Screening compound: pyridin-3-yl 4-chloro-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-1524
pyridin-3-yl 4-chloro-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonate

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

J057-1524

Molecular Formula

C20H14ClN3O5S (C20 H14 ClN3 O5 S)

Compound Name

pyridin-3-yl 4-chloro-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonate

IUPAC name

pyridin-3-yl 4-chloro-3-[5-(4-methoxyphenyl)-134-oxadiazol-2-yl]benzene-1-sulfonate

SMILES

COc(cc1)ccc1-c1nnc(-c(cc(cc2)S(Oc3cnccc3)(=O)=O)c2Cl)o1

InChI

InChI=1S/C20H14ClN3O5S/c1-27-14-6-4-13(5-7-14)19-23-24-20(28-19)17-11-16(8-9-18(17)21)30(25,26)29-15-3-2-10-22-12-15/h2-12H,1H3

InChI Key

GTMXZTSCKXYPBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.569

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-4.14

Polar Surface Area

83.306

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

J057-1524 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with J057-1524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-1524?
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What is the minimum amount of J057-1524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-1524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-1524
  • 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 J057-1524 available by request