D169-0339 Screening compound: 3-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(3-methylphenyl)urea

D169-0339 Screening compound: 3-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(3-methylphenyl)urea
D169-0339 Screening compound: 3-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(3-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0339
3-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(3-methylphenyl)urea

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

D169-0339

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

3-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(3-methylphenyl)urea

IUPAC name

3-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-1-(3-methylphenyl)urea

SMILES

Cc1cccc(NC(NCc2nc(-c(cc3)ccc3OC)no2)=O)c1

InChI

InChI=1S/C18H18N4O3/c1-12-4-3-5-14(10-12)20-18(23)19-11-16-21-17(22-25-16)13-6-8-15(24-2)9-7-13/h3-10H,11H2,1-2H3,(H2,19,20,23)

InChI Key

PBWWPLKVCFXWMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07161621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

3.926

Water Solubility, LogSw

-4.09

Polar Surface Area

72.750

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D169-0339 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D169-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0339?
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What is the minimum amount of D169-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0339
  • 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 D169-0339 available by request