4951-1873 Screening compound: 3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine

4951-1873 Screening compound: 3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
4951-1873 Screening compound: 3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4951-1873
3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine

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

4951-1873

Molecular Formula

C16H15N3O4 (C16 H15 N3 O4)

Compound Name

3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine

IUPAC name

3-[5-(345-trimethoxyphenyl)-124-oxadiazol-3-yl]pyridine

SMILES

COc1cc(-c2nc(-c3cnccc3)no2)cc(OC)c1OC

InChI

InChI=1S/C16H15N3O4/c1-20-12-7-11(8-13(21-2)14(12)22-3)16-18-15(19-23-16)10-5-4-6-17-9-10/h4-9H,1-3H3

InChI Key

KSRDWNZTRHPTDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00264626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.309

Distribution Coefficient, logD

2.254

Water Solubility, LogSw

-2.09

Polar Surface Area

64.140

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4951-1873 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4951-1873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4951-1873?
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What is the minimum amount of 4951-1873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4951-1873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4951-1873
  • 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 4951-1873 available by request