J057-1250 Screening compound: 2-{N-methyl5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}acetic acid

J057-1250 Screening compound: 2-{N-methyl5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}acetic acid
J057-1250 Screening compound: 2-{N-methyl5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-1250
2-{N-methyl5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}acetic 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

J057-1250

Molecular Formula

C20H21N3O7S (C20 H21 N3 O7 S)

Compound Name

2-{N-methyl5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzenesulfonamido}acetic acid

IUPAC name

2-{N-methyl5-[5-(34-dimethoxyphenyl)-134-oxadiazol-2-yl]-2-methylbenzenesulfonamido}acetic acid

SMILES

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

InChI

InChI=1S/C20H21N3O7S/c1-12-5-6-14(10-17(12)31(26,27)23(2)11-18(24)25)20-22-21-19(30-20)13-7-8-15(28-3)16(9-13)29-4/h5-10H,11H2,1-4H3,(H,24,25)

InChI Key

QCSFVDQDPJTDBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.193

Distribution Coefficient, logD

-2.808

Water Solubility, LogSw

-2.24

Polar Surface Area

106.963

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J057-1250 in Drug Discovery

Included in Screening Libraries

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 J057-1250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-1250?
Check Price and Availability of J057-1250, 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 J057-1250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-1250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-1250
  • 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 J057-1250 available by request