D169-0504 Screening compound: 1,3-dicyclohexyl-3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea

D169-0504 Screening compound: 1,3-dicyclohexyl-3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea
D169-0504 Screening compound: 1,3-dicyclohexyl-3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0504
1,3-dicyclohexyl-3-{[3-(3,4-dimethoxyphenyl)-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

D169-0504

Molecular Formula

C24H34N4O4 (C24 H34 N4 O4)

Compound Name

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

IUPAC name

13-dicyclohexyl-3-{[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}urea

SMILES

COc(ccc(-c1noc(CN(C2CCCCC2)C(NC2CCCCC2)=O)n1)c1)c1OC

InChI

InChI=1S/C24H34N4O4/c1-30-20-14-13-17(15-21(20)31-2)23-26-22(32-27-23)16-28(19-11-7-4-8-12-19)24(29)25-18-9-5-3-6-10-18/h13-15,18-19H,3-12,16H2,1-2H3,(H,25,29)

InChI Key

AGKXRQCADXBVLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.490

Distribution Coefficient, logD

5.490

Water Solubility, LogSw

-5.36

Polar Surface Area

71.895

Acid Dissociation Constant (pKa)

17.49

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

D169-0504 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D169-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0504?
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What is the minimum amount of D169-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0504
  • 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 D169-0504 available by request