D679-0985 Screening compound: 4-cyano-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

D679-0985 Screening compound: 4-cyano-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
D679-0985 Screening compound: 4-cyano-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-0985
4-cyano-N-{[5-(phenoxymethyl)-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

D679-0985

Molecular Formula

C18H14N4O3 (C18 H14 N4 O3)

Compound Name

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

IUPAC name

4-cyano-N-{[5-(phenoxymethyl)-124-oxadiazol-3-yl]methyl}benzamide

SMILES

N#Cc(cc1)ccc1C(NCc1noc(COc2ccccc2)n1)=O

InChI

InChI=1S/C18H14N4O3/c19-10-13-6-8-14(9-7-13)18(23)20-11-16-21-17(25-22-16)12-24-15-4-2-1-3-5-15/h1-9H,11-12H2,(H,20,23)

InChI Key

MIHYCNAHLYNTQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.396

Distribution Coefficient, logD

2.396

Water Solubility, LogSw

-2.69

Polar Surface Area

81.541

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D679-0985 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D679-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-0985?
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What is the minimum amount of D679-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-0985
  • 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 D679-0985 available by request