D349-0804 Screening compound: 2-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-[2-(trifluoromethyl)phenyl]acetamide

D349-0804 Screening compound: 2-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-[2-(trifluoromethyl)phenyl]acetamide
D349-0804 Screening compound: 2-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-0804
2-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-[2-(trifluoromethyl)phenyl]acetamide

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

D349-0804

Molecular Formula

C24H18F3N3O4 (C24 H18 F3 N3 O4)

Compound Name

2-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{2-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]phenoxy}-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

COc(cc1)ccc1-c1noc(-c(cccc2)c2OCC(Nc2c(C(F)(F)F)cccc2)=O)n1

InChI

InChI=1S/C24H18F3N3O4/c1-32-16-12-10-15(11-13-16)22-29-23(34-30-22)17-6-2-5-9-20(17)33-14-21(31)28-19-8-4-3-7-18(19)24(25,26)27/h2-13H,14H2,1H3,(H,28,31)

InChI Key

NHSKPQDKHKIPNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.487

Distribution Coefficient, logD

5.487

Water Solubility, LogSw

-5.44

Polar Surface Area

68.954

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D349-0804 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D349-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-0804?
Check Price and Availability of D349-0804, 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 D349-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-0804
  • 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 D349-0804 available by request