D349-4052 Screening compound: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]pyridin-2-amine

D349-4052 Screening compound: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]pyridin-2-amine
D349-4052 Screening compound: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]pyridin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-4052
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]pyridin-2-amine

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

D349-4052

Molecular Formula

C20H17N5O2 (C20 H17 N5 O2)

Compound Name

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]pyridin-2-amine

IUPAC name

3-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]pyridin-2-amine

SMILES

COc(cc1)ccc1-c1noc(-c2c(NCc3cnccc3)nccc2)n1

InChI

InChI=1S/C20H17N5O2/c1-26-16-8-6-15(7-9-16)18-24-20(27-25-18)17-5-3-11-22-19(17)23-13-14-4-2-10-21-12-14/h2-12H,13H2,1H3,(H,22,23)

InChI Key

BPXCGSDCFSNBPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.312

Distribution Coefficient, logD

3.235

Water Solubility, LogSw

-3.40

Polar Surface Area

68.628

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D349-4052 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D349-4052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-4052?
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What is the minimum amount of D349-4052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-4052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-4052
  • 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 D349-4052 available by request