J057-0472 Screening compound: 1-{5-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzenesulfonyl}-4-methylpiperidine

J057-0472 Screening compound: 1-{5-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzenesulfonyl}-4-methylpiperidine
J057-0472 Screening compound: 1-{5-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzenesulfonyl}-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-0472
1-{5-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzenesulfonyl}-4-methylpiperidine

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

J057-0472

Molecular Formula

C21H22ClN3O4S (C21 H22 ClN3 O4 S)

Compound Name

1-{5-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzenesulfonyl}-4-methylpiperidine

IUPAC name

1-{5-[5-(2-chlorophenyl)-134-oxadiazol-2-yl]-2-methoxybenzenesulfonyl}-4-methylpiperidine

SMILES

CC(CC1)CCN1S(c(cc(cc1)-c2nnc(-c(cccc3)c3Cl)o2)c1OC)(=O)=O

InChI

InChI=1S/C21H22ClN3O4S/c1-14-9-11-25(12-10-14)30(26,27)19-13-15(7-8-18(19)28-2)20-23-24-21(29-20)16-5-3-4-6-17(16)22/h3-8,13-14H,9-12H2,1-2H3

InChI Key

DBIAVDNQMYFBOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.47

Polar Surface Area

69.824

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J057-0472 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J057-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-0472?
Check Price and Availability of J057-0472, 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 J057-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-0472
  • 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 J057-0472 available by request