D679-1050 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

D679-1050 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
D679-1050 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-1050
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-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

D679-1050

Molecular Formula

C22H19N5O4 (C22 H19 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1-c1noc(C2CC2)n1)NCc1noc(COc2ccccc2)n1

InChI

InChI=1S/C22H19N5O4/c28-21(15-8-6-14(7-9-15)20-25-22(31-27-20)16-10-11-16)23-12-18-24-19(30-26-18)13-29-17-4-2-1-3-5-17/h1-9,16H,10-13H2,(H,23,28)

InChI Key

CHIMSUNURVDWDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

4.185

Water Solubility, LogSw

-4.37

Polar Surface Area

96.413

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D679-1050 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D679-1050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-1050?
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What is the minimum amount of D679-1050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-1050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-1050
  • 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 D679-1050 available by request