M416-0422 Screening compound: 3-[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one

M416-0422 Screening compound: 3-[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one
M416-0422 Screening compound: 3-[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M416-0422
3-[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-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

M416-0422

Molecular Formula

C20H13N3O4 (C20 H13 N3 O4)

Compound Name

3-[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one

IUPAC name

3-[3-(2-ethyl-13-benzoxazol-5-yl)-124-oxadiazol-5-yl]-2H-chromen-2-one

SMILES

CCc1nc(cc(cc2)-c3noc(C4=Cc(cccc5)c5OC4=O)n3)c2o1

InChI

InChI=1S/C20H13N3O4/c1-2-17-21-14-10-12(7-8-16(14)25-17)18-22-19(27-23-18)13-9-11-5-3-4-6-15(11)26-20(13)24/h3-10H,2H2,1H3

InChI Key

JIWQLSUDCDVDLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

4.417

Water Solubility, LogSw

-4.47

Polar Surface Area

69.313

Acid Dissociation Constant (pKa)

29.62

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

M416-0422 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M416-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M416-0422?
Check Price and Availability of M416-0422, 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 M416-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M416-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M416-0422
  • 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 M416-0422 available by request