D138-0072 Screening compound: 5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

D138-0072 Screening compound: 5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
D138-0072 Screening compound: 5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D138-0072
5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

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

D138-0072

Molecular Formula

C18H18N2O2 (C18 H18 N2 O2)

Compound Name

5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

IUPAC name

5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-124-oxadiazole

SMILES

CC(c1nc(-c2cc(C)ccc2)no1)Oc1cc(C)ccc1

InChI

InChI=1S/C18H18N2O2/c1-12-6-4-8-15(10-12)17-19-18(22-20-17)14(3)21-16-9-5-7-13(2)11-16/h4-11,14H,1-3H3/t14-/m0/s1

InChI Key

HQPPMKLYZAAMFT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07038614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.558

Distribution Coefficient, logD

5.558

Water Solubility, LogSw

-5.60

Polar Surface Area

38.433

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

-5.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D138-0072 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D138-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D138-0072?
Check Price and Availability of D138-0072, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D138-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D138-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D138-0072
  • 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 D138-0072 available by request