D349-4030 Screening compound: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylpiperidin-1-yl)pyridine

D349-4030 Screening compound: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylpiperidin-1-yl)pyridine
D349-4030 Screening compound: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylpiperidin-1-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-4030
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylpiperidin-1-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

D349-4030

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

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

IUPAC name

3-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]-2-(3-methylpiperidin-1-yl)pyridine

SMILES

CC(CCC1)CN1c(nccc1)c1-c1nc(-c(cc2)ccc2OC)no1

InChI

InChI=1S/C20H22N4O2/c1-14-5-4-12-24(13-14)19-17(6-3-11-21-19)20-22-18(23-26-20)15-7-9-16(25-2)10-8-15/h3,6-11,14H,4-5,12-13H2,1-2H3/t14-/m0/s1

InChI Key

MVAVYLNOSGQNPG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14821867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

4.557

Water Solubility, LogSw

-4.30

Polar Surface Area

51.555

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D349-4030 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D349-4030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-4030?
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What is the minimum amount of D349-4030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-4030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-4030
  • 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 D349-4030 available by request