J057-0613 Screening compound: 5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-2-methylbenzene-1-sulfonamide

J057-0613 Screening compound: 5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-2-methylbenzene-1-sulfonamide
J057-0613 Screening compound: 5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-0613
5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-2-methylbenzene-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

J057-0613

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-2-methylbenzene-1-sulfonamide

IUPAC name

5-[5-(34-dimethoxyphenyl)-134-oxadiazol-2-yl]-NN-diethyl-2-methylbenzene-1-sulfonamide

SMILES

CCN(CC)S(c1c(C)ccc(-c2nnc(-c(cc3)cc(OC)c3OC)o2)c1)(=O)=O

InChI

InChI=1S/C21H25N3O5S/c1-6-24(7-2)30(25,26)19-13-16(9-8-14(19)3)21-23-22-20(29-21)15-10-11-17(27-4)18(12-15)28-5/h8-13H,6-7H2,1-5H3

InChI Key

WOIMWANROIIKTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.372

Distribution Coefficient, logD

3.372

Water Solubility, LogSw

-3.55

Polar Surface Area

76.840

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J057-0613 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J057-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-0613?
Check Price and Availability of J057-0613, 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 J057-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-0613
  • 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 J057-0613 available by request