D400-0137 Screening compound: 2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-(pyridin-3-yl)acetamide

D400-0137 Screening compound: 2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-(pyridin-3-yl)acetamide
D400-0137 Screening compound: 2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-(pyridin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-0137
2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-(pyridin-3-yl)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

D400-0137

Molecular Formula

C22H18N4O3 (C22 H18 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1noc(-c2cccc(OCC(Nc3cnccc3)=O)c2)n1

InChI

InChI=1S/C22H18N4O3/c1-15-7-9-16(10-8-15)21-25-22(29-26-21)17-4-2-6-19(12-17)28-14-20(27)24-18-5-3-11-23-13-18/h2-13H,14H2,1H3,(H,24,27)

InChI Key

KKHYGJMLTHPMKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.424

Distribution Coefficient, logD

4.424

Water Solubility, LogSw

-4.08

Polar Surface Area

71.539

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with D400-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-0137?
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What is the minimum amount of D400-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-0137
  • 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 D400-0137 available by request