D138-0077 Screening compound: 3-{5-[1-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl}pyridine

D138-0077 Screening compound: 3-{5-[1-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl}pyridine
D138-0077 Screening compound: 3-{5-[1-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D138-0077
3-{5-[1-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl}pyridine

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

D138-0077

Molecular Formula

C16H15N3O2 (C16 H15 N3 O2)

Compound Name

3-{5-[1-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl}pyridine

IUPAC name

3-{5-[1-(3-methylphenoxy)ethyl]-124-oxadiazol-3-yl}pyridine

SMILES

CC(c1nc(-c2cnccc2)no1)Oc1cc(C)ccc1

InChI

InChI=1S/C16H15N3O2/c1-11-5-3-7-14(9-11)20-12(2)16-18-15(19-21-16)13-6-4-8-17-10-13/h3-10,12H,1-2H3/t12-/m0/s1

InChI Key

XZVHKLKUTUVZRS-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06752018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

3.070

Water Solubility, LogSw

-3.62

Polar Surface Area

47.951

Acid Dissociation Constant (pKa)

28.64

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

D138-0077 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D138-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D138-0077?
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What is the minimum amount of D138-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D138-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D138-0077
  • 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 D138-0077 available by request