D679-0231 Screening compound: 4-chloro-2-methoxy-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

D679-0231 Screening compound: 4-chloro-2-methoxy-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
D679-0231 Screening compound: 4-chloro-2-methoxy-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-0231
4-chloro-2-methoxy-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

D679-0231

Molecular Formula

C18H16ClN3O4 (C18 H16 ClN3 O4)

Compound Name

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

IUPAC name

4-chloro-2-methoxy-N-{[5-(phenoxymethyl)-124-oxadiazol-3-yl]methyl}benzamide

SMILES

COc(cc(cc1)Cl)c1C(NCc1noc(COc2ccccc2)n1)=O

InChI

InChI=1S/C18H16ClN3O4/c1-24-15-9-12(19)7-8-14(15)18(23)20-10-16-21-17(26-22-16)11-25-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,23)

InChI Key

FQTPDCBOYKNZHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.8

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

3.977

Distribution Coefficient, logD

3.977

Water Solubility, LogSw

-4.44

Polar Surface Area

72.115

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D679-0231 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D679-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-0231?
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What is the minimum amount of D679-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-0231
  • 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 D679-0231 available by request