D349-0312 Screening compound: 2-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-1-(morpholin-4-yl)ethan-1-one

D349-0312 Screening compound: 2-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-1-(morpholin-4-yl)ethan-1-one
D349-0312 Screening compound: 2-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-0312
2-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-1-(morpholin-4-yl)ethan-1-one

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

D349-0312

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

2-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-{2-[3-(3-methylphenyl)-124-oxadiazol-5-yl]phenoxy}-1-(morpholin-4-yl)ethan-1-one

SMILES

Cc1cccc(-c2noc(-c(cccc3)c3OCC(N3CCOCC3)=O)n2)c1

InChI

InChI=1S/C21H21N3O4/c1-15-5-4-6-16(13-15)20-22-21(28-23-20)17-7-2-3-8-18(17)27-14-19(25)24-9-11-26-12-10-24/h2-8,13H,9-12,14H2,1H3

InChI Key

YFGWDSOTEPWZIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.028

Distribution Coefficient, logD

3.028

Water Solubility, LogSw

-3.26

Polar Surface Area

63.259

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D349-0312 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with D349-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-0312?
Check Price and Availability of D349-0312, 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 D349-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-0312
  • 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 D349-0312 available by request