D678-0831 Screening compound: N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-phenyl-1,3-oxazole-4-carboxamide

D678-0831 Screening compound: N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-phenyl-1,3-oxazole-4-carboxamide
D678-0831 Screening compound: N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-phenyl-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D678-0831
N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-phenyl-1,3-oxazole-4-carboxamide

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

D678-0831

Molecular Formula

C20H16N4O3 (C20 H16 N4 O3)

Compound Name

N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-phenyl-1,3-oxazole-4-carboxamide

IUPAC name

N-{[5-(3-methylphenyl)-124-oxadiazol-3-yl]methyl}-2-phenyl-13-oxazole-4-carboxamide

SMILES

Cc1cccc(-c2nc(CNC(c3coc(-c4ccccc4)n3)=O)no2)c1

InChI

InChI=1S/C20H16N4O3/c1-13-6-5-9-15(10-13)20-23-17(24-27-20)11-21-18(25)16-12-26-19(22-16)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,21,25)

InChI Key

DTVIQTOGWDRYCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.684

Distribution Coefficient, logD

3.684

Water Solubility, LogSw

-3.88

Polar Surface Area

75.788

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D678-0831 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Receptor's ligands
Targets:
  • GPCR
  • GPCR

References: we are preparing a list of scientific research reports with D678-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D678-0831?
Check Price and Availability of D678-0831, 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 D678-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D678-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D678-0831
  • 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 D678-0831 available by request