J057-1189 Screening compound: 3-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}benzoic acid

J057-1189 Screening compound: 3-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}benzoic acid
J057-1189 Screening compound: 3-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-1189
3-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}benzoic acid

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

J057-1189

Molecular Formula

C24H21N3O7S (C24 H21 N3 O7 S)

Compound Name

3-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}benzoic acid

IUPAC name

3-{5-[5-(34-dimethoxyphenyl)-134-oxadiazol-2-yl]-2-methylbenzenesulfonamido}benzoic acid

SMILES

Cc(ccc(-c1nnc(-c(cc2)cc(OC)c2OC)o1)c1)c1S(Nc1cc(C(O)=O)ccc1)(=O)=O

InChI

InChI=1S/C24H21N3O7S/c1-14-7-8-16(13-21(14)35(30,31)27-18-6-4-5-17(11-18)24(28)29)23-26-25-22(34-23)15-9-10-19(32-2)20(12-15)33-3/h4-13,27H,1-3H3,(H,28,29)

InChI Key

AOXKEQBSXYIHNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.320

Distribution Coefficient, logD

1.570

Water Solubility, LogSw

-4.28

Polar Surface Area

114.801

Acid Dissociation Constant (pKa)

4.65

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

J057-1189 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J057-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-1189?
Check Price and Availability of J057-1189, 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 J057-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-1189
  • 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 J057-1189 available by request