D679-1010 Screening compound: 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

D679-1010 Screening compound: 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
D679-1010 Screening compound: 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-1010
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{[5-(2-phenylethyl)-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

D679-1010

Molecular Formula

C21H19N5O3 (C21 H19 N5 O3)

Compound Name

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

IUPAC name

3-(5-methyl-124-oxadiazol-3-yl)-N-{[5-(2-phenylethyl)-124-oxadiazol-3-yl]methyl}benzamide

SMILES

Cc1nc(-c2cccc(C(NCc3noc(CCc4ccccc4)n3)=O)c2)no1

InChI

InChI=1S/C21H19N5O3/c1-14-23-20(26-28-14)16-8-5-9-17(12-16)21(27)22-13-18-24-19(29-25-18)11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,22,27)

InChI Key

GHXDTNIVRDLRPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.935

Distribution Coefficient, logD

3.935

Water Solubility, LogSw

-4.13

Polar Surface Area

87.891

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D679-1010 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D679-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-1010?
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What is the minimum amount of D679-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-1010
  • 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 D679-1010 available by request