D400-0152 Screening compound: 2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-[(pyridin-3-yl)methyl]acetamide

D400-0152 Screening compound: 2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-[(pyridin-3-yl)methyl]acetamide
D400-0152 Screening compound: 2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-0152
2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-[(pyridin-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

D400-0152

Molecular Formula

C23H20N4O3 (C23 H20 N4 O3)

Compound Name

2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

2-{3-[3-(4-methylphenyl)-124-oxadiazol-5-yl]phenoxy}-N-[(pyridin-3-yl)methyl]acetamide

SMILES

Cc(cc1)ccc1-c1noc(-c2cccc(OCC(NCc3cnccc3)=O)c2)n1

InChI

InChI=1S/C23H20N4O3/c1-16-7-9-18(10-8-16)22-26-23(30-27-22)19-5-2-6-20(12-19)29-15-21(28)25-14-17-4-3-11-24-13-17/h2-13H,14-15H2,1H3,(H,25,28)

InChI Key

NWOSXPRGESNBSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.44

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

3.797

Distribution Coefficient, logD

3.794

Water Solubility, LogSw

-3.65

Polar Surface Area

72.861

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D400-0152 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D400-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-0152?
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What is the minimum amount of D400-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-0152
  • 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 D400-0152 available by request