D169-0087 Screening compound: 1-(3-methylphenyl)-3-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea

D169-0087 Screening compound: 1-(3-methylphenyl)-3-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea
D169-0087 Screening compound: 1-(3-methylphenyl)-3-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0087
1-(3-methylphenyl)-3-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}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

D169-0087

Molecular Formula

C18H18N4O2 (C18 H18 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c2noc(CNC(Nc3cc(C)ccc3)=O)n2)c1

InChI

InChI=1S/C18H18N4O2/c1-12-5-3-7-14(9-12)17-21-16(24-22-17)11-19-18(23)20-15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3,(H2,19,20,23)

InChI Key

NPCULWHAKWQJNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08069968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.313

Distribution Coefficient, logD

4.313

Water Solubility, LogSw

-4.36

Polar Surface Area

65.207

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D169-0087 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D169-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0087?
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What is the minimum amount of D169-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0087
  • 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 D169-0087 available by request