D654-0120 Screening compound: 2-(2-chlorophenoxy)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

D654-0120 Screening compound: 2-(2-chlorophenoxy)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide
D654-0120 Screening compound: 2-(2-chlorophenoxy)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D654-0120
2-(2-chlorophenoxy)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}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

D654-0120

Molecular Formula

C23H18ClN3O3 (C23 H18 ClN3 O3)

Compound Name

2-(2-chlorophenoxy)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

IUPAC name

2-(2-chlorophenoxy)-N-{2-[3-(4-methylphenyl)-124-oxadiazol-5-yl]phenyl}acetamide

SMILES

Cc(cc1)ccc1-c1noc(-c(cccc2)c2NC(COc(cccc2)c2Cl)=O)n1

InChI

InChI=1S/C23H18ClN3O3/c1-15-10-12-16(13-11-15)22-26-23(30-27-22)17-6-2-4-8-19(17)25-21(28)14-29-20-9-5-3-7-18(20)24/h2-13H,14H2,1H3,(H,25,28)

InChI Key

HSWJCVWTFAKYGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.617

Distribution Coefficient, logD

5.617

Water Solubility, LogSw

-5.77

Polar Surface Area

61.410

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D654-0120 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 D654-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D654-0120?
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What is the minimum amount of D654-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D654-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D654-0120
  • 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 D654-0120 available by request