D042-0095 Screening compound: 2-methoxy-8-methyl-3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]quinoline

D042-0095 Screening compound: 2-methoxy-8-methyl-3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]quinoline
D042-0095 Screening compound: 2-methoxy-8-methyl-3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0095
2-methoxy-8-methyl-3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]quinoline

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

D042-0095

Molecular Formula

C18H14N4O2 (C18 H14 N4 O2)

Compound Name

2-methoxy-8-methyl-3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]quinoline

IUPAC name

2-methoxy-8-methyl-3-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]quinoline

SMILES

Cc(cccc1cc2-c3noc(-c4ccncc4)n3)c1nc2OC

InChI

InChI=1S/C18H14N4O2/c1-11-4-3-5-13-10-14(18(23-2)20-15(11)13)16-21-17(24-22-16)12-6-8-19-9-7-12/h3-10H,1-2H3

InChI Key

AZNMSZGGYDFELM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05704214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.109

Distribution Coefficient, logD

4.108

Water Solubility, LogSw

-4.18

Polar Surface Area

58.475

Acid Dissociation Constant (pKa)

23.92

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D042-0095 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D042-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0095?
Check Price and Availability of D042-0095, 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 D042-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0095
  • 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 D042-0095 available by request