D169-0264 Screening compound: 3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-cyclohexylurea

D169-0264 Screening compound: 3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-cyclohexylurea
D169-0264 Screening compound: 3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-cyclohexylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0264
3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-cyclohexylurea

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

D169-0264

Molecular Formula

C16H19ClN4O2 (C16 H19 ClN4 O2)

Compound Name

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

IUPAC name

3-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-1-cyclohexylurea

SMILES

O=C(NCc1nc(-c(cc2)ccc2Cl)no1)NC1CCCCC1

InChI

InChI=1S/C16H19ClN4O2/c17-12-8-6-11(7-9-12)15-20-14(23-21-15)10-18-16(22)19-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,18,19,22)

InChI Key

MOXZSXOUMIBZBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07161604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.81

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

4.020

Distribution Coefficient, logD

4.020

Water Solubility, LogSw

-4.54

Polar Surface Area

66.254

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D169-0264 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D169-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0264?
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What is the minimum amount of D169-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0264
  • 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 D169-0264 available by request