J057-0612 Screening compound: 5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N,2-trimethylbenzene-1-sulfonamide

J057-0612 Screening compound: 5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N,2-trimethylbenzene-1-sulfonamide
J057-0612 Screening compound: 5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N,2-trimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-0612
5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N,2-trimethylbenzene-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

J057-0612

Molecular Formula

C19H21N3O5S (C19 H21 N3 O5 S)

Compound Name

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

IUPAC name

5-[5-(34-dimethoxyphenyl)-134-oxadiazol-2-yl]-NN2-trimethylbenzene-1-sulfonamide

SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-12-6-7-14(11-17(12)28(23,24)22(2)3)19-21-20-18(27-19)13-8-9-15(25-4)16(10-13)26-5/h6-11H,1-5H3

InChI Key

XPBHZIQESHZHQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

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

2.761

Distribution Coefficient, logD

2.761

Water Solubility, LogSw

-3.06

Polar Surface Area

79.407

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

J057-0612 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J057-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-0612?
Check Price and Availability of J057-0612, 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 J057-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-0612
  • 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 J057-0612 available by request