D321-0702 Screening compound: 4-{4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid

D321-0702 Screening compound: 4-{4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid
D321-0702 Screening compound: 4-{4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D321-0702
4-{4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamido}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

D321-0702

Molecular Formula

C20H19N3O5 (C20 H19 N3 O5)

Compound Name

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

IUPAC name

4-{4-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]butanamido}benzoic acid

SMILES

COc(cc1)ccc1-c1noc(CCCC(Nc(cc2)ccc2C(O)=O)=O)n1

InChI

InChI=1S/C20H19N3O5/c1-27-16-11-7-13(8-12-16)19-22-18(28-23-19)4-2-3-17(24)21-15-9-5-14(6-10-15)20(25)26/h5-12H,2-4H2,1H3,(H,21,24)(H,25,26)

InChI Key

PFKOAZANECJSOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

1.256

Water Solubility, LogSw

-3.97

Polar Surface Area

90.411

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D321-0702 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with D321-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D321-0702?
Check Price and Availability of D321-0702, 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 D321-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D321-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D321-0702
  • 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 D321-0702 available by request