J057-1132 Screening compound: ethyl 1-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonyl]piperidine-3-carboxylate

J057-1132 Screening compound: ethyl 1-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonyl]piperidine-3-carboxylate
J057-1132 Screening compound: ethyl 1-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-1132
ethyl 1-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonyl]piperidine-3-carboxylate

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

J057-1132

Molecular Formula

C22H22ClN3O5S (C22 H22 ClN3 O5 S)

Compound Name

ethyl 1-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[4-chloro-3-(5-phenyl-134-oxadiazol-2-yl)benzenesulfonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1S(c(cc1)cc(-c2nnc(-c3ccccc3)o2)c1Cl)(=O)=O)=O

InChI

InChI=1S/C22H22ClN3O5S/c1-2-30-22(27)16-9-6-12-26(14-16)32(28,29)17-10-11-19(23)18(13-17)21-25-24-20(31-21)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,2,6,9,12,14H2,1H3/t16-/m0/s1

InChI Key

PQIJQARSGPWZAE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27223059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.95

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.984

Distribution Coefficient, logD

3.984

Water Solubility, LogSw

-4.48

Polar Surface Area

82.881

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

J057-1132 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 J057-1132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-1132?
Check Price and Availability of J057-1132, 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 J057-1132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-1132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-1132
  • 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 J057-1132 available by request