J057-1139 Screening compound: 2-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}propanoic acid

J057-1139 Screening compound: 2-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}propanoic acid
J057-1139 Screening compound: 2-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-1139
2-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}propanoic 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

J057-1139

Molecular Formula

C20H21N3O7S (C20 H21 N3 O7 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H21N3O7S/c1-11-5-6-14(10-17(11)31(26,27)23-12(2)20(24)25)19-22-21-18(30-19)13-7-8-15(28-3)16(9-13)29-4/h5-10,12,23H,1-4H3,(H,24,25)/t12-/m0/s1

InChI Key

RZTHMOATHSKRGQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27223062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.643

Distribution Coefficient, logD

-2.151

Water Solubility, LogSw

-2.42

Polar Surface Area

115.558

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

J057-1139 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J057-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-1139?
Check Price and Availability of J057-1139, 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 J057-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-1139
  • 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 J057-1139 available by request