D678-0696 Screening compound: 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

D678-0696 Screening compound: 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
D678-0696 Screening compound: 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D678-0696
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

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

D678-0696

Molecular Formula

C20H17N5O3 (C20 H17 N5 O3)

Compound Name

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

IUPAC name

3-(5-methyl-124-oxadiazol-3-yl)-N-{[5-(3-methylphenyl)-124-oxadiazol-3-yl]methyl}benzamide

SMILES

Cc1nc(-c2cccc(C(NCc3noc(-c4cc(C)ccc4)n3)=O)c2)no1

InChI

InChI=1S/C20H17N5O3/c1-12-5-3-8-16(9-12)20-23-17(24-28-20)11-21-19(26)15-7-4-6-14(10-15)18-22-13(2)27-25-18/h3-10H,11H2,1-2H3,(H,21,26)

InChI Key

VVQGZJJHFGCADC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.653

Water Solubility, LogSw

-3.86

Polar Surface Area

88.225

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D678-0696 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D678-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D678-0696?
Check Price and Availability of D678-0696, 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 D678-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D678-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D678-0696
  • 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 D678-0696 available by request