D349-4047 Screening compound: N-benzyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

D349-4047 Screening compound: N-benzyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
D349-4047 Screening compound: N-benzyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-4047
N-benzyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]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

D349-4047

Molecular Formula

C21H18N4O2 (C21 H18 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1noc(-c2c(NCc3ccccc3)nccc2)n1

InChI

InChI=1S/C21H18N4O2/c1-26-17-11-9-16(10-12-17)19-24-21(27-25-19)18-8-5-13-22-20(18)23-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,22,23)

InChI Key

BIYGFKDQMNDNQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.505

Water Solubility, LogSw

-4.39

Polar Surface Area

59.110

Acid Dissociation Constant (pKa)

18.33

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D349-4047 in Drug Discovery

Included in Screening Libraries

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:
  • 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 D349-4047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-4047?
Check Price and Availability of D349-4047, 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 D349-4047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-4047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-4047
  • 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 D349-4047 available by request