D169-0417 Screening compound: 1-cyclohexyl-3-ethyl-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea

D169-0417 Screening compound: 1-cyclohexyl-3-ethyl-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea
D169-0417 Screening compound: 1-cyclohexyl-3-ethyl-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0417
1-cyclohexyl-3-ethyl-1-{[3-(4-methoxyphenyl)-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

D169-0417

Molecular Formula

C19H26N4O3 (C19 H26 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCNC(N(Cc1nc(-c(cc2)ccc2OC)no1)C1CCCCC1)=O

InChI

InChI=1S/C19H26N4O3/c1-3-20-19(24)23(15-7-5-4-6-8-15)13-17-21-18(22-26-17)14-9-11-16(25-2)12-10-14/h9-12,15H,3-8,13H2,1-2H3,(H,20,24)

InChI Key

UDEYLXDVOPDUMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07640209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.251

Distribution Coefficient, logD

4.251

Water Solubility, LogSw

-4.12

Polar Surface Area

64.350

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

D169-0417 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D169-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0417?
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What is the minimum amount of D169-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0417
  • 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 D169-0417 available by request