D679-1375 Screening compound: 2-(3-chloro-4-methoxyphenyl)-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}acetamide

D679-1375 Screening compound: 2-(3-chloro-4-methoxyphenyl)-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}acetamide
D679-1375 Screening compound: 2-(3-chloro-4-methoxyphenyl)-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-1375
2-(3-chloro-4-methoxyphenyl)-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}acetamide

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

D679-1375

Molecular Formula

C19H18ClN3O4 (C19 H18 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CC(NCc1noc(COc2ccccc2)n1)=O)c1)c1Cl

InChI

InChI=1S/C19H18ClN3O4/c1-25-16-8-7-13(9-15(16)20)10-18(24)21-11-17-22-19(27-23-17)12-26-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,21,24)

InChI Key

RPANVNYSYUODQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.026

Distribution Coefficient, logD

3.026

Water Solubility, LogSw

-3.43

Polar Surface Area

71.901

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D679-1375 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 D679-1375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-1375?
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What is the minimum amount of D679-1375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-1375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-1375
  • 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 D679-1375 available by request